# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# doi: 10.1016/j.commatsci.2024.112988 (part 4)

# Chemical Composition:  PtSn4 (D1_c)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4_oC20_41_a_2b-001

# Last updated on 2024/07/29

data_AB4_oC20_41_a_2b-001
_pd_phase_name AB4_oC20_41_a_2b-001
_cell_length_a  6.3878800000
_cell_length_b  6.4189400000
_cell_length_c  11.356890000
_cell_angle_alpha  90.0000000000
_cell_angle_beta   90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Aea2'
_symmetry_Int_Tables_Number  41
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x+1/2,-y,z+1/2
  4  -x+1/2,y,z+1/2
  5  x,y+1/2,z+1/2
  6  -x,-y+1/2,z+1/2
  7  x+1/2,-y+1/2,z
  8  -x+1/2,y+1/2,z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Pt1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Pt 4 a
Sn2 1.0000000000 0.1730000000 0.3270000000 0.1250000000  Biso 1.0 Sn 8 b
Sn3 1.0000000000 0.3270000000 0.1730000000 0.8760000000  Biso 1.0 Sn 8 b
