data_[Ca2Pr2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7792]
_cell_length_b [4.8504]
_cell_length_c [6.7117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaPrPt]
_chemical_formula_sum '[Ca2 Pr2 Pt2]'
_cell_volume [180.4384]
_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  0.4229  0.7500  0.6910  1
  Pr  Pr1  2  0.0047  0.7500  0.1780  1
  Pt  Pt2  2  0.1199  0.2500  0.4200  1
]