data_[Ca2Ce2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7138]
_cell_length_b [7.0061]
_cell_length_c [7.1361]
_cell_angle_alpha [75.7231]
_cell_angle_beta [89.4355]
_cell_angle_gamma [83.2358]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaCePt]
_chemical_formula_sum '[Ca2 Ce2 Pt2]'
_cell_volume [178.6508]
_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  1  0.2974  0.0501  0.3906  1
  Ca  Ca1  1  0.9021  0.0973  0.8877  1
  Ce  Ce2  1  0.4089  0.6009  0.0031  1
  Ce  Ce3  1  0.4198  0.5337  0.5198  1
  Pt  Pt4  1  0.8620  0.7690  0.6867  1
  Pt  Pt5  1  0.8682  0.7665  0.2393  1
]