data_[Lu8Se12]
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 [C2/c]
_cell_length_a [7.0489]
_cell_length_b [11.9316]
_cell_length_c [6.8994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Se3]
_chemical_formula_sum '[Lu8 Se12]'
_cell_volume [546.0451]
_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  0.0000  0.0872  0.7500  1.0
  Lu  Lu1  4  0.0000  0.2559  0.2500  1.0
  Se  Se2  8  0.2349  0.0869  0.4991  1.0
  Se  Se3  4  0.2500  0.2500  0.0000  1.0
]