data_[Ca16In2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1525]
_cell_length_b [13.4619]
_cell_length_c [5.7232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8InPt2]
_chemical_formula_sum '[Ca16 In2 Pt4]'
_cell_volume [685.4266]
_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
[
  Ca  Ca0  8  0.1943  0.1299  0.5788  1
  Ca  Ca1  4  0.0000  0.2430  0.0000  1
  Ca  Ca2  4  0.1206  0.5000  0.7996  1
  In  In3  2  0.0000  0.0000  0.0000  1
  Pt  Pt4  4  0.0000  0.3194  0.5000  1
]