data_[Lu1Se4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1771]
_cell_length_b [7.2569]
_cell_length_c [7.3199]
_cell_angle_alpha [75.0475]
_cell_angle_beta [79.2521]
_cell_angle_gamma [88.8586]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Lu(Se2Br3)2]
_chemical_formula_sum '[Lu1 Se4 Br6]'
_cell_volume [361.7138]
_cell_formula_units_Z [1]
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
[
  Lu  Lu0  1  0.0000  0.0000  0.0000  1.0
  Se  Se1  2  0.3619  0.5609  0.6869  1.0
  Se  Se2  2  0.4745  0.7181  0.3536  1.0
  Br  Br3  2  0.1273  0.6622  0.2013  1.0
  Br  Br4  2  0.2134  0.9646  0.6516  1.0
  Br  Br5  2  0.2972  0.1964  0.0556  1.0
]