# generated using pymatgen
data_Lu4C2SBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59641829
_cell_length_b   3.59642714
_cell_length_c   13.01869044
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00032225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4C2SBr
_chemical_formula_sum   'Lu4 C2 S1 Br1'
_cell_volume   145.82701502
_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  0.33334317  0.66667624  0.07903185  1.0
  Lu  Lu1  1  0.66666344  0.33333430  0.61171200  1.0
  Lu  Lu2  1  0.66666344  0.33333430  0.88828800  1.0
  Lu  Lu3  1  0.33334317  0.66667624  0.42096815  1.0
  C  C4  1  0.99995721  0.99996194  0.99299981  1.0
  C  C5  1  0.99995721  0.99996194  0.50700019  1.0
  S  S6  1  0.33328790  0.66664514  0.75000000  1.0
  Br  Br7  1  0.66678247  0.33340790  0.25000000  1.0