data_[Ba2As2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0678]
_cell_length_b [4.0597]
_cell_length_c [5.6862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaAsPt2]
_chemical_formula_sum '[Ba2 As2 Pt4]'
_cell_volume [199.7497]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.2497  0.0000  0.7562  1.0
  As  As1  2  0.4626  0.0000  0.3461  1.0
  Pt  Pt2  2  0.0401  0.0000  0.1698  1.0
  Pt  Pt3  2  0.2476  0.5000  0.2279  1.0
]