# generated using pymatgen
data_Mg6NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44017200
_cell_length_b   6.39264800
_cell_length_c   9.93749400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6NiB
_chemical_formula_sum   'Mg12 Ni2 B2'
_cell_volume   282.07036771
_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  0.50000000  0.25153400  0.59630500  1.0
  Mg  Mg1  1  0.50000000  0.74846600  0.59630500  1.0
  Mg  Mg2  1  0.00000000  0.24559000  0.40549600  1.0
  Mg  Mg3  1  0.00000000  0.75441000  0.40549600  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.67460200  1.0
  Mg  Mg5  1  0.00000000  0.00000000  0.17085400  1.0
  Mg  Mg6  1  0.50000000  0.75153400  0.09630500  1.0
  Mg  Mg7  1  0.50000000  0.24846600  0.09630500  1.0
  Mg  Mg8  1  0.00000000  0.74559000  0.90549600  1.0
  Mg  Mg9  1  0.00000000  0.25441000  0.90549600  1.0
  Mg  Mg10  1  0.00000000  0.50000000  0.17460200  1.0
  Mg  Mg11  1  0.00000000  0.50000000  0.67085400  1.0
  Ni  Ni12  1  0.50000000  0.00000000  0.83614500  1.0
  Ni  Ni13  1  0.50000000  0.50000000  0.33614500  1.0
  B  B14  1  0.50000000  0.00000000  0.31480000  1.0
  B  B15  1  0.50000000  0.50000000  0.81480000  1.0