data_[Ca2Pr4V2O12]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6551]
_cell_length_b [5.9551]
_cell_length_c [9.8371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaPr2VO6]
_chemical_formula_sum '[Ca2 Pr4 V2 O12]'
_cell_volume [270.8318]
_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  0.5000  0.0000  0.0000  1
  Pr  Pr1  4  0.2309  0.5601  0.7528  1
  V  V2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1104  0.7182  0.4315  1
  O  O4  4  0.2298  0.1837  0.4455  1
  O  O5  4  0.3370  0.5439  0.2238  1
]