data_[Ca2In4Pt4]
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 [P2_1/m]
_cell_length_a [5.0642]
_cell_length_b [4.6283]
_cell_length_c [10.0517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca(InPt)2]
_chemical_formula_sum '[Ca2 In4 Pt4]'
_cell_volume [230.7254]
_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  2  0.2205  0.2500  0.7659  1
  In  In1  2  0.2021  0.2500  0.1146  1
  In  In2  2  0.2904  0.7500  0.5199  1
  Pt  Pt3  2  0.1652  0.2500  0.3748  1
  Pt  Pt4  2  0.3371  0.7500  0.9901  1
]