data_[Pm2Y2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0636]
_cell_length_b [13.4787]
_cell_length_c [7.0661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmYBr6]
_chemical_formula_sum '[Pm2 Y2 Br12]'
_cell_volume [643.5415]
_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
  Y  Y1  2  0.0000  0.5000  0.5000  1
  Br  Br2  8  0.2436  0.3562  0.7442  1
  Br  Br3  4  0.2480  0.5000  0.2535  1
]