data_[Pr1In1P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.1568]
_cell_length_b [5.1568]
_cell_length_c [7.1348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [PrIn(PO4)2]
_chemical_formula_sum '[Pr1 In1 P2 O8]'
_cell_volume [164.3117]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.0000  1.0
  In  In1  1  0.0000  0.0000  0.5000  1.0
  P  P2  2  0.3333  0.6667  0.2228  1.0
  O  O3  6  0.1234  0.7823  0.2903  1.0
  O  O4  2  0.3333  0.6667  0.0074  1.0
]