data_[Ca1Pr1Y2Bi4]
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
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9214]
_cell_length_b [4.5184]
_cell_length_c [7.9843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaPr(YBi2)2]
_chemical_formula_sum '[Ca1 Pr1 Y2 Bi4]'
_cell_volume [269.9318]
_cell_formula_units_Z [1]
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  0.5000  0.0000  0.5000  1.0
  Pr  Pr1  1  0.0000  0.5000  0.5000  1.0
  Y  Y2  1  0.0000  0.0000  0.0000  1.0
  Y  Y3  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi4  2  0.2467  0.5000  0.2395  1.0
  Bi  Bi5  2  0.2540  0.0000  0.7599  1.0
]