data_[Ca2Pr2Bi4O12]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.6535]
_cell_length_b [6.1887]
_cell_length_c [5.8981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaPr(BiO3)2]
_chemical_formula_sum '[Ca2 Pr2 Bi4 O12]'
_cell_volume [315.8647]
_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  0.0000  0.2006  0.4868  1.0
  Pr  Pr1  2  0.0000  0.6849  0.0247  1.0
  Bi  Bi2  4  0.2492  0.2451  0.0022  1.0
  O  O3  4  0.1734  0.4483  0.3052  1.0
  O  O4  4  0.1767  0.9367  0.1838  1.0
  O  O5  2  0.0000  0.3188  0.8612  1.0
  O  O6  2  0.0000  0.8190  0.6454  1.0
]