data_[Ba4B2As2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0268]
_cell_length_b [6.1579]
_cell_length_c [6.9775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2BAsPt6]
_chemical_formula_sum '[Ba4 B2 As2 Pt12]'
_cell_volume [401.4985]
_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  4  0.2158  0.5000  0.1448  1.0
  B  B1  2  0.0000  0.5000  0.5000  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  8  0.0369  0.2272  0.3359  1.0
  Pt  Pt4  4  0.2387  0.5000  0.6627  1.0
]