data_[Ho2Pa2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.4769]
_cell_length_b [5.3015]
_cell_length_c [8.7991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoPaBr]
_chemical_formula_sum '[Ho2 Pa2 Br2]'
_cell_volume [161.1033]
_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
[
  Ho  Ho0  2  0.3505  0.7500  0.2133  1
  Pa  Pa1  2  0.1412  0.2500  0.4600  1
  Br  Br2  2  0.2477  0.2500  0.0861  1
]