data_[Pr2Ho2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.5924]
_cell_length_b [3.9287]
_cell_length_c [19.2325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrHoBr4]
_chemical_formula_sum '[Pr2 Ho2 Br8]'
_cell_volume [1027.0185]
_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  0.1139  0.7500  0.5026  1
  Ho  Ho1  2  0.3542  0.2500  0.5021  1
  Br  Br2  2  0.0405  0.2500  0.6100  1
  Br  Br3  2  0.2117  0.2500  0.4001  1
  Br  Br4  2  0.2977  0.7500  0.6009  1
  Br  Br5  2  0.4580  0.7500  0.4198  1
]