data_[Pr6As2P2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6024]
_cell_length_b [4.1448]
_cell_length_c [9.0496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3AsPO]
_chemical_formula_sum '[Pr6 As2 P2 O2]'
_cell_volume [317.3531]
_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
[
  Pr  Pr0  2  0.1059  0.7500  0.8533  1
  Pr  Pr1  2  0.1802  0.2500  0.5131  1
  Pr  Pr2  2  0.4123  0.2500  0.1621  1
  As  As3  2  0.1675  0.7500  0.2131  1
  P  P4  2  0.3458  0.2500  0.8388  1
  O  O5  2  0.0907  0.7500  0.5881  1
]