# generated using pymatgen
data_MgNi21SnB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39350496
_cell_length_b   7.39350500
_cell_length_c   7.39350509
_cell_angle_alpha   60.00000396
_cell_angle_beta   60.00000381
_cell_angle_gamma   60.00000269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi21SnB6
_chemical_formula_sum   'Mg1 Ni21 Sn1 B6'
_cell_volume   285.78284289
_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  0.75000000  0.75000000  0.75000000  1.0
  Ni  Ni1  1  0.66435986  0.99884671  0.99884671  1.0
  Ni  Ni2  1  0.15617879  0.61460707  0.61460707  1.0
  Ni  Ni3  1  0.61460707  0.61460707  0.61460707  1.0
  Ni  Ni4  1  0.61460707  0.61460707  0.15617879  1.0
  Ni  Ni5  1  0.38494486  0.84516641  0.38494486  1.0
  Ni  Ni6  1  0.66435986  0.33794672  0.99884671  1.0
  Ni  Ni7  1  0.99884671  0.33794672  0.66435986  1.0
  Ni  Ni8  1  0.99884671  0.99884671  0.33794672  1.0
  Ni  Ni9  1  0.33794672  0.99884671  0.99884671  1.0
  Ni  Ni10  1  0.99884671  0.99884671  0.66435986  1.0
  Ni  Ni11  1  0.99884671  0.33794672  0.99884671  1.0
  Ni  Ni12  1  0.66435986  0.99884671  0.33794672  1.0
  Ni  Ni13  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni14  1  0.99884671  0.66435986  0.99884671  1.0
  Ni  Ni15  1  0.33794672  0.99884671  0.66435986  1.0
  Ni  Ni16  1  0.99884671  0.66435986  0.33794672  1.0
  Ni  Ni17  1  0.33794672  0.66435986  0.99884671  1.0
  Ni  Ni18  1  0.84516641  0.38494486  0.38494486  1.0
  Ni  Ni19  1  0.38494486  0.38494486  0.84516641  1.0
  Ni  Ni20  1  0.61460707  0.15617879  0.61460707  1.0
  Ni  Ni21  1  0.38494486  0.38494486  0.38494486  1.0
  Sn  Sn22  1  0.25000000  0.25000000  0.25000000  1.0
  B  B23  1  0.72736102  0.72736102  0.27263898  1.0
  B  B24  1  0.72736102  0.27263898  0.72736102  1.0
  B  B25  1  0.27263898  0.72736102  0.27263898  1.0
  B  B26  1  0.72736102  0.27263898  0.27263898  1.0
  B  B27  1  0.27263898  0.72736102  0.72736102  1.0
  B  B28  1  0.27263898  0.27263898  0.72736102  1.0