# generated using pymatgen
data_Mg6SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10730367
_cell_length_b   6.10730367
_cell_length_c   4.07992100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.59104375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6SiB
_chemical_formula_sum   'Mg6 Si1 B1'
_cell_volume   151.87882239
_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  0.61015100  0.88628000  0.00000000  1.0
  Mg  Mg1  1  0.11372000  0.38984900  0.00000000  1.0
  Mg  Mg2  1  0.94244300  0.70711700  0.50000000  1.0
  Mg  Mg3  1  0.29288300  0.05755700  0.50000000  1.0
  Mg  Mg4  1  0.80676600  0.19323400  0.50000000  1.0
  Mg  Mg5  1  0.40647600  0.59352400  0.50000000  1.0
  Si  Si6  1  0.61272500  0.38727500  0.00000000  1.0
  B  B7  1  0.21483600  0.78516400  0.00000000  1.0