data_[Pm1Pr1S1O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9579]
_cell_length_b [3.9579]
_cell_length_c [6.8023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PmPrSO2]
_chemical_formula_sum '[Pm1 Pr1 S1 O2]'
_cell_volume [92.2794]
_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
[
  Pm  Pm0  1  0.3333  0.6667  0.7189  1
  Pr  Pr1  1  0.6667  0.3333  0.2784  1
  S  S2  1  0.0000  0.0000  0.9966  1
  O  O3  1  0.3333  0.6667  0.3735  1
  O  O4  1  0.6667  0.3333  0.6327  1
]