# generated using pymatgen
data_Sc4BiC2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46953216
_cell_length_b   3.46953169
_cell_length_c   13.79786162
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999490
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4BiC2Br
_chemical_formula_sum   'Sc4 Bi1 C2 Br1'
_cell_volume   143.84150359
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.07353086  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.42646914  1.0
  Sc  Sc2  1  0.66666700  0.33333300  0.59443641  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.90556359  1.0
  Bi  Bi4  1  0.66666700  0.33333300  0.25000000  1.0
  C  C5  1  0.00000000  0.00000000  0.98452126  1.0
  C  C6  1  0.00000000  0.00000000  0.51547874  1.0
  Br  Br7  1  0.33333300  0.66666700  0.75000000  1.0