# generated using pymatgen
data_Lu2PSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88038109
_cell_length_b   6.88038121
_cell_length_c   6.88038190
_cell_angle_alpha   33.04413337
_cell_angle_beta   33.04413021
_cell_angle_gamma   33.04413736
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2PSe
_chemical_formula_sum   'Lu2 P1 Se1'
_cell_volume   86.19130276
_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  0.24211327  0.24211327  0.24211327  1.0
  Lu  Lu1  1  0.75788673  0.75788673  0.75788673  1.0
  P  P2  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se3  1  0.00000000  0.00000000  0.00000000  1.0