# generated using pymatgen
data_MgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39590744
_cell_length_b   10.32055417
_cell_length_c   6.06887628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi
_chemical_formula_sum   'Mg6 Bi6'
_cell_volume   337.96816447
_cell_formula_units_Z   6
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
  Mg  Mg0  1  0.00000000  0.69164878  0.32377516  1.0
  Mg  Mg1  1  0.00000000  0.30835122  0.32377516  1.0
  Mg  Mg2  1  0.50000000  0.00000000  0.01109717  1.0
  Mg  Mg3  1  -0.00000000  0.19164878  0.82377516  1.0
  Mg  Mg4  1  0.00000000  0.80835122  0.82377516  1.0
  Mg  Mg5  1  0.50000000  0.50000000  0.51109717  1.0
  Bi  Bi6  1  0.00000000  0.00000000  0.21385640  1.0
  Bi  Bi7  1  0.50000000  0.84272792  0.56374755  1.0
  Bi  Bi8  1  0.50000000  0.15727208  0.56374755  1.0
  Bi  Bi9  1  0.00000000  0.50000000  0.71385640  1.0
  Bi  Bi10  1  0.50000000  0.34272792  0.06374755  1.0
  Bi  Bi11  1  0.50000000  0.65727208  0.06374755  1.0