data_[Ca2Te2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9641]
_cell_length_b [3.8968]
_cell_length_c [5.1087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaTePt2]
_chemical_formula_sum '[Ca2 Te2 Pt4]'
_cell_volume [186.2350]
_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  0.2417  0.0000  0.7531  1
  Te  Te1  2  0.4505  0.0000  0.3907  1
  Pt  Pt2  2  0.0578  0.0000  0.1556  1
  Pt  Pt3  2  0.2500  0.5000  0.2006  1
]