# generated using pymatgen
data_ZrNi21B6As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38303948
_cell_length_b   7.38303911
_cell_length_c   7.38304015
_cell_angle_alpha   59.99999535
_cell_angle_beta   59.99999700
_cell_angle_gamma   59.99999886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi21B6As
_chemical_formula_sum   'Zr1 Ni21 B6 As1'
_cell_volume   284.57094983
_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
  Zr  Zr0  1  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni2  1  0.62427875  0.62427875  0.12716374  1.0
  Ni  Ni3  1  0.62427875  0.12716374  0.62427875  1.0
  Ni  Ni4  1  0.12716374  0.62427875  0.62427875  1.0
  Ni  Ni5  1  0.62427875  0.62427875  0.62427875  1.0
  Ni  Ni6  1  0.39107953  0.39107953  0.82676140  1.0
  Ni  Ni7  1  0.39107953  0.82676140  0.39107953  1.0
  Ni  Ni8  1  0.82676140  0.39107953  0.39107953  1.0
  Ni  Ni9  1  0.39107953  0.39107953  0.39107953  1.0
  Ni  Ni10  1  0.00298203  0.00298203  0.33527965  1.0
  Ni  Ni11  1  0.65875628  0.00298203  0.33527965  1.0
  Ni  Ni12  1  0.00298203  0.65875628  0.33527965  1.0
  Ni  Ni13  1  0.65875628  0.33527965  0.00298203  1.0
  Ni  Ni14  1  0.00298203  0.33527965  0.00298203  1.0
  Ni  Ni15  1  0.00298203  0.33527965  0.65875628  1.0
  Ni  Ni16  1  0.33527965  0.65875628  0.00298203  1.0
  Ni  Ni17  1  0.33527965  0.00298203  0.65875628  1.0
  Ni  Ni18  1  0.33527965  0.00298203  0.00298203  1.0
  Ni  Ni19  1  0.00298203  0.00298203  0.65875628  1.0
  Ni  Ni20  1  0.00298203  0.65875628  0.00298203  1.0
  Ni  Ni21  1  0.65875628  0.00298203  0.00298203  1.0
  B  B22  1  0.73029210  0.73029210  0.26970790  1.0
  B  B23  1  0.26970790  0.73029210  0.26970790  1.0
  B  B24  1  0.73029210  0.26970790  0.26970790  1.0
  B  B25  1  0.26970790  0.26970790  0.73029210  1.0
  B  B26  1  0.73029210  0.26970790  0.73029210  1.0
  B  B27  1  0.26970790  0.73029210  0.73029210  1.0
  As  As28  1  0.75000000  0.75000000  0.75000000  1.0