# generated using pymatgen
data_SrMg6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41936994
_cell_length_b   8.41936994
_cell_length_c   3.97997700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   136.47223219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg6B
_chemical_formula_sum   'Sr1 Mg6 B1'
_cell_volume   194.30037537
_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
  Sr  Sr0  1  0.22420700  0.77579300  0.00000000  1.0
  Mg  Mg1  1  0.18757100  0.36193300  0.00000000  1.0
  Mg  Mg2  1  0.63806700  0.81242900  0.00000000  1.0
  Mg  Mg3  1  0.64946500  0.35053500  0.00000000  1.0
  Mg  Mg4  1  0.29213600  0.20102600  0.50000000  1.0
  Mg  Mg5  1  0.79897400  0.70786400  0.50000000  1.0
  Mg  Mg6  1  0.80694500  0.19305500  0.50000000  1.0
  B  B7  1  0.40263600  0.59736400  0.50000000  1.0