data_[Ba4Zn2As2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  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 [12.4316]
_cell_length_b [5.7215]
_cell_length_c [8.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ZnAsPt6]
_chemical_formula_sum '[Ba4 Zn2 As2 Pt12]'
_cell_volume [453.0532]
_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  0.2353  0.5000  0.6815  1.0
  Zn  Zn1  2  0.0000  0.0000  0.5000  1.0
  As  As2  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt3  8  0.0299  0.2378  0.7958  1.0
  Pt  Pt4  4  0.2469  0.0000  0.8780  1.0
]