data_[Ba4P2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0304]
_cell_length_b [4.4943]
_cell_length_c [9.1571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2PPt]
_chemical_formula_sum '[Ba4 P2 Pt2]'
_cell_volume [242.9539]
_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  0.2248  0.7500  0.4318  1
  Ba  Ba1  2  0.2815  0.2500  0.0818  1
  P  P2  2  0.1856  0.7500  0.7756  1
  Pt  Pt3  2  0.3043  0.2500  0.7323  1
]