data_[Ba16In4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4952]
_cell_length_b [15.2704]
_cell_length_c [7.4979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4InPt]
_chemical_formula_sum '[Ba16 In4 Pt4]'
_cell_volume [1049.0692]
_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
[
  Ba  Ba0  8  0.1137  0.1666  0.0757  1.0
  Ba  Ba1  8  0.2133  0.4331  0.3035  1.0
  In  In2  4  0.0000  0.3665  0.7500  1.0
  Pt  Pt3  4  0.0000  0.0009  0.7500  1.0
]