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 [10.5079]
_cell_length_b [15.2009]
_cell_length_c [7.4510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4InPt]
_chemical_formula_sum '[Ba16 In4 Pt4]'
_cell_volume [1044.0428]
_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  0.1144  0.1673  0.5758  1
  Ba  Ba1  8  0.2135  0.4326  0.8047  1
  In  In2  4  0.0000  0.3669  0.2500  1
  Pt  Pt3  4  0.0000  0.0007  0.2500  1
]