data_[Ga4Pt4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.1188]
_cell_length_b [6.1244]
_cell_length_c [6.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [GaPtS]
_chemical_formula_sum '[Ga4 Pt4 S4]'
_cell_volume [212.4299]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ga  Ga0  2  0.1509  0.8722  0.6244  1
  Ga  Ga1  2  0.3397  0.3734  0.9418  1
  Pt  Pt2  2  0.2569  0.0043  0.0536  1
  Pt  Pt3  2  0.2896  0.5066  0.5418  1
  S  S4  2  0.1501  0.6168  0.1347  1
  S  S5  2  0.3292  0.1230  0.4464  1
]