# generated using pymatgen
data_MgScNi6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26089280
_cell_length_b   5.26089336
_cell_length_c   5.26089329
_cell_angle_alpha   60.00000046
_cell_angle_beta   59.99999697
_cell_angle_gamma   59.99999441
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScNi6B
_chemical_formula_sum   'Mg1 Sc1 Ni6 B1'
_cell_volume   102.95878742
_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  0.25000000  0.25000000  0.25000000  1.0
  Sc  Sc1  1  0.75000000  0.75000000  0.75000000  1.0
  Ni  Ni2  1  0.73875541  0.26124559  0.26124559  1.0
  Ni  Ni3  1  0.26124559  0.73875541  0.26124559  1.0
  Ni  Ni4  1  0.73875441  0.73875441  0.26124659  1.0
  Ni  Ni5  1  0.26124559  0.26124559  0.73875541  1.0
  Ni  Ni6  1  0.73875441  0.26124659  0.73875441  1.0
  Ni  Ni7  1  0.26124659  0.73875441  0.73875441  1.0
  B  B8  1  0.00000000  0.00000000  0.00000000  1.0