# generated using pymatgen
data_Nb10GaB4S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32269054
_cell_length_b   7.32269109
_cell_length_c   7.32269150
_cell_angle_alpha   129.43405148
_cell_angle_beta   129.43405557
_cell_angle_gamma   74.31315419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb10GaB4S
_chemical_formula_sum   'Nb10 Ga1 B4 S1'
_cell_volume   228.32895005
_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
  Nb  Nb0  1  0.99709324  0.99709324  1.00000000  1.0
  Nb  Nb1  1  0.50290676  0.50290676  0.00000000  1.0
  Nb  Nb2  1  0.80975495  0.30214237  0.83531158  1.0
  Nb  Nb3  1  0.19785763  0.69024505  0.16468842  1.0
  Nb  Nb4  1  0.46682979  0.97444237  0.16468842  1.0
  Nb  Nb5  1  0.30214237  0.46682979  0.49238742  1.0
  Nb  Nb6  1  0.03317021  0.19785763  0.50761258  1.0
  Nb  Nb7  1  0.52555763  0.03317021  0.83531158  1.0
  Nb  Nb8  1  0.69024505  0.52555763  0.49238742  1.0
  Nb  Nb9  1  0.97444237  0.80975495  0.50761258  1.0
  Ga  Ga10  1  0.75000000  0.75000000  0.00000000  1.0
  B  B11  1  0.11333334  0.61333334  0.72666567  1.0
  B  B12  1  0.88666666  0.38666666  0.27333433  1.0
  B  B13  1  0.61333334  0.88666666  0.50000000  1.0
  B  B14  1  0.38666666  0.11333334  0.50000000  1.0
  S  S15  1  0.25000000  0.25000000  0.00000000  1.0