data_[Tb2P2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9148]
_cell_length_b [5.0574]
_cell_length_c [10.6783]
_cell_angle_alpha [78.7989]
_cell_angle_beta [79.9555]
_cell_angle_gamma [68.2561]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbPBr]
_chemical_formula_sum '[Tb2 P2 Br2]'
_cell_volume [191.4125]
_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
[
  Tb  Tb0  2  0.1811  0.7850  0.8618  1
  P  P1  2  0.4835  0.1849  0.9242  1
  Br  Br2  2  0.1939  0.3050  0.3248  1
]