data_[Lu4Se8]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1531]
_cell_length_b [4.0242]
_cell_length_c [8.1525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LuSe2]
_chemical_formula_sum '[Lu4 Se8]'
_cell_volume [267.4772]
_cell_formula_units_Z [4]
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  4  0.2734  0.7282  0.6261  1.0
  Se  Se1  4  0.0016  0.2034  0.6219  1.0
  Se  Se2  4  0.3713  0.2446  0.8748  1.0
]