data_[Ca2Pr2V4O12]
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 [Pmn2_1]
_cell_length_a [7.6018]
_cell_length_b [5.6624]
_cell_length_c [5.4990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaPrV2O6]
_chemical_formula_sum '[Ca2 Pr2 V4 O12]'
_cell_volume [236.7029]
_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  0.2003  0.4882  1.0
  Pr  Pr1  2  0.0000  0.7008  0.0133  1.0
  V  V2  4  0.2492  0.2474  0.0003  1.0
  O  O3  4  0.2067  0.4524  0.2920  1.0
  O  O4  4  0.2095  0.9528  0.2082  1.0
  O  O5  2  0.0000  0.2641  0.9230  1.0
  O  O6  2  0.0000  0.7684  0.5747  1.0
]