# generated using pymatgen
data_Mg6BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74463087
_cell_length_b   6.74463087
_cell_length_c   3.88474200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.76116780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6BiB
_chemical_formula_sum   'Mg6 Bi1 B1'
_cell_volume   174.65512719
_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
  Mg  Mg0  1  0.40497300  0.11350600  0.50000000  1.0
  Mg  Mg1  1  0.88649400  0.59502700  0.50000000  1.0
  Mg  Mg2  1  0.04947400  0.28526800  0.00000000  1.0
  Mg  Mg3  1  0.71473200  0.95052600  0.00000000  1.0
  Mg  Mg4  1  0.63332300  0.36667700  0.00000000  1.0
  Mg  Mg5  1  0.15038700  0.84961300  0.00000000  1.0
  Bi  Bi6  1  0.38546700  0.61453300  0.50000000  1.0
  B  B7  1  0.77515900  0.22484100  0.50000000  1.0