# generated using pymatgen
data_Mg6CrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31976000
_cell_length_b   9.31713200
_cell_length_c   10.20390200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6CrB
_chemical_formula_sum   'Mg12 Cr2 B2'
_cell_volume   315.61324107
_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  0.67107900  0.11991900  1.0
  Mg  Mg1  1  0.00000000  0.32892100  0.11991900  1.0
  Mg  Mg2  1  0.00000000  0.50000000  0.84364400  1.0
  Mg  Mg3  1  0.50000000  0.76375800  0.87165100  1.0
  Mg  Mg4  1  0.50000000  0.23624200  0.87165100  1.0
  Mg  Mg5  1  0.50000000  0.50000000  0.59089700  1.0
  Mg  Mg6  1  0.00000000  0.17107900  0.61991900  1.0
  Mg  Mg7  1  0.00000000  0.82892100  0.61991900  1.0
  Mg  Mg8  1  0.00000000  0.00000000  0.34364400  1.0
  Mg  Mg9  1  0.50000000  0.26375800  0.37165100  1.0
  Mg  Mg10  1  0.50000000  0.73624200  0.37165100  1.0
  Mg  Mg11  1  0.50000000  0.00000000  0.09089700  1.0
  Cr  Cr12  1  0.00000000  0.50000000  0.34810500  1.0
  Cr  Cr13  1  0.00000000  0.00000000  0.84810500  1.0
  B  B14  1  0.50000000  0.50000000  0.23421200  1.0
  B  B15  1  0.50000000  0.00000000  0.73421200  1.0