# generated using pymatgen
data_Lu4BSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82485194
_cell_length_b   6.82485108
_cell_length_c   6.82485164
_cell_angle_alpha   132.35227091
_cell_angle_beta   132.35226670
_cell_angle_gamma   69.67321646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4BSe3
_chemical_formula_sum   'Lu4 B1 Se3'
_cell_volume   170.28371987
_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  0.21842188  0.21842188  0.00000000  1.0
  Lu  Lu1  1  0.78157812  0.78157812  1.00000000  1.0
  Lu  Lu2  1  0.50000000  0.00000000  0.50000000  1.0
  Lu  Lu3  1  0.00000000  0.50000000  0.50000000  1.0
  B  B4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.75000000  0.25000000  0.50000000  1.0
  Se  Se6  1  0.25000000  0.75000000  0.50000000  1.0
  Se  Se7  1  0.50000000  0.50000000  0.00000000  1.0