data_[Ca2Pr2P4O16]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.8240]
_cell_length_b [5.2034]
_cell_length_c [8.1221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaPr(PO4)2]
_chemical_formula_sum '[Ca2 Pr2 P4 O16]'
_cell_volume [330.5908]
_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  0.9491  0.0000  1.0
  Pr  Pr1  2  0.0000  0.9401  0.5000  1.0
  P  P2  4  0.1173  0.5047  0.7518  1.0
  O  O3  4  0.0398  0.6885  0.2464  1.0
  O  O4  4  0.0637  0.2193  0.7467  1.0
  O  O5  4  0.2120  0.5799  0.5910  1.0
  O  O6  4  0.2211  0.5631  0.9114  1.0
]