data_[Pm2Pr2I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0180]
_cell_length_b [4.0075]
_cell_length_c [12.6429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PmPrI3]
_chemical_formula_sum '[Pm2 Pr2 I6]'
_cell_volume [387.3838]
_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
[
  Pm  Pm0  2  0.1213  0.7500  0.6727  1
  Pr  Pr1  2  0.1250  0.7500  0.1732  1
  I  I2  2  0.1979  0.7500  0.4397  1
  I  I3  2  0.2016  0.7500  0.9355  1
  I  I4  2  0.4597  0.2500  0.2432  1
]