# generated using pymatgen
data_Sc4HgC2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42792310
_cell_length_b   3.42792366
_cell_length_c   13.80242907
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4HgC2Br
_chemical_formula_sum   'Sc4 Hg1 C2 Br1'
_cell_volume   140.45860462
_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  0.66666600  0.09283421  1.0
  Sc  Sc1  1  0.33333300  0.66666600  0.40716579  1.0
  Sc  Sc2  1  0.66666600  0.33333300  0.58058062  1.0
  Sc  Sc3  1  0.66666600  0.33333300  0.91941938  1.0
  Hg  Hg4  1  0.33333300  0.66666600  0.75000000  1.0
  C  C5  1  0.00000000  0.00000000  0.01723731  1.0
  C  C6  1  0.00000000  0.00000000  0.48276269  1.0
  Br  Br7  1  0.66666600  0.33333300  0.25000000  1.0