data_[Er2Pa2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [3.6178]
_cell_length_b [3.6265]
_cell_length_c [13.1423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErPaBr]
_chemical_formula_sum '[Er2 Pa2 Br2]'
_cell_volume [172.3016]
_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
[
  Er  Er0  2  0.2818  0.2500  0.7304  1
  Pa  Pa1  2  0.2417  0.2500  0.4389  1
  Br  Br2  2  0.2013  0.2500  0.1475  1
]