data_[Ca2Sb4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9843]
_cell_length_b [4.5880]
_cell_length_c [10.2770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca(SbPt)2]
_chemical_formula_sum '[Ca2 Sb4 Pt4]'
_cell_volume [232.6412]
_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  0.2149  0.2500  0.7645  1.0
  Sb  Sb1  2  0.2023  0.2500  0.1161  1.0
  Sb  Sb2  2  0.2591  0.7500  0.5153  1.0
  Pt  Pt3  2  0.2087  0.2500  0.3745  1.0
  Pt  Pt4  2  0.3246  0.7500  0.0003  1.0
]