data_[Sr12As12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5019]
_cell_length_b [11.4271]
_cell_length_c [15.1147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3As3Pt2]
_chemical_formula_sum '[Sr12 As12 Pt8]'
_cell_volume [777.5660]
_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
[
  Sr  Sr0  8  0.0000  0.0885  0.6081  1.0
  Sr  Sr1  4  0.0000  0.3672  0.7500  1.0
  As  As2  8  0.0000  0.3599  0.5362  1.0
  As  As3  4  0.0000  0.3249  0.2500  1.0
  Pt  Pt4  8  0.0000  0.1998  0.0976  1.0
]