data_[Ca4Pr2Pt4]
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 [5.7049]
_cell_length_b [4.5146]
_cell_length_c [10.9081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2PrPt2]
_chemical_formula_sum '[Ca4 Pr2 Pt4]'
_cell_volume [279.1719]
_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  0.1089  0.7500  0.8811  1.0
  Ca  Ca1  2  0.2480  0.7500  0.5357  1.0
  Pr  Pr2  2  0.3972  0.7500  0.2104  1.0
  Pt  Pt3  2  0.2343  0.2500  0.3570  1.0
  Pt  Pt4  2  0.3577  0.2500  0.0260  1.0
]