data_[Pm2In6Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6901]
_cell_length_b [8.7072]
_cell_length_c [13.2131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm(InBr2)3]
_chemical_formula_sum '[Pm2 In6 Br12]'
_cell_volume [754.0763]
_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  0.0000  0.0000  0.0000  1
  In  In1  4  0.3037  0.0800  0.7778  1
  In  In2  2  0.5000  0.0000  0.5000  1
  Br  Br3  4  0.0912  0.0717  0.2359  1
  Br  Br4  4  0.2490  0.7267  0.0875  1
  Br  Br5  4  0.3564  0.1655  0.0411  1
]