# generated using pymatgen
data_Mg6BC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39679100
_cell_length_b   7.71233700
_cell_length_c   10.33153700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6BC
_chemical_formula_sum   'Mg12 B2 C2'
_cell_volume   270.65730918
_cell_formula_units_Z   2
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  0.67925400  0.11347700  1.0
  Mg  Mg1  1  0.00000000  0.32074600  0.11347700  1.0
  Mg  Mg2  1  0.00000000  0.50000000  0.87794100  1.0
  Mg  Mg3  1  0.50000000  0.81325700  0.88019700  1.0
  Mg  Mg4  1  0.50000000  0.18674300  0.88019700  1.0
  Mg  Mg5  1  0.50000000  0.50000000  0.63480400  1.0
  Mg  Mg6  1  0.00000000  0.17925400  0.61347700  1.0
  Mg  Mg7  1  0.00000000  0.82074600  0.61347700  1.0
  Mg  Mg8  1  0.00000000  0.00000000  0.37794100  1.0
  Mg  Mg9  1  0.50000000  0.31325700  0.38019700  1.0
  Mg  Mg10  1  0.50000000  0.68674300  0.38019700  1.0
  Mg  Mg11  1  0.50000000  0.00000000  0.13480400  1.0
  B  B12  1  0.00000000  0.50000000  0.47325400  1.0
  B  B13  1  0.00000000  0.00000000  0.97325400  1.0
  C  C14  1  0.50000000  0.50000000  0.02665400  1.0
  C  C15  1  0.50000000  0.00000000  0.52665400  1.0