# generated using pymatgen
data_Zr6Sc3Re4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74691428
_cell_length_b   8.74691243
_cell_length_c   8.35916357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999188
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Sc3Re4Ni
_chemical_formula_sum   'Zr12 Sc6 Re8 Ni2'
_cell_volume   553.86400259
_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
  Zr  Zr0  1  0.19793120  0.80206880  0.44240005  1.0
  Zr  Zr1  1  0.19793120  0.39586241  0.44240005  1.0
  Zr  Zr2  1  0.60413759  0.80206880  0.44240005  1.0
  Zr  Zr3  1  0.80206880  0.19793120  0.55759995  1.0
  Zr  Zr4  1  0.80206880  0.60413759  0.55759995  1.0
  Zr  Zr5  1  0.39586241  0.19793120  0.55759995  1.0
  Zr  Zr6  1  0.80206880  0.19793120  0.94240005  1.0
  Zr  Zr7  1  0.80206880  0.60413759  0.94240005  1.0
  Zr  Zr8  1  0.39586241  0.19793120  0.94240005  1.0
  Zr  Zr9  1  0.19793120  0.80206880  0.05759995  1.0
  Zr  Zr10  1  0.19793120  0.39586241  0.05759995  1.0
  Zr  Zr11  1  0.60413759  0.80206880  0.05759995  1.0
  Sc  Sc12  1  0.54202851  0.45797149  0.25000000  1.0
  Sc  Sc13  1  0.54202851  0.08405702  0.25000000  1.0
  Sc  Sc14  1  0.91594298  0.45797149  0.25000000  1.0
  Sc  Sc15  1  0.45797149  0.54202851  0.75000000  1.0
  Sc  Sc16  1  0.45797149  0.91594298  0.75000000  1.0
  Sc  Sc17  1  0.08405702  0.54202851  0.75000000  1.0
  Re  Re18  1  0.89243284  0.10756716  0.25000000  1.0
  Re  Re19  1  0.89243284  0.78486468  0.25000000  1.0
  Re  Re20  1  0.21513532  0.10756716  0.25000000  1.0
  Re  Re21  1  0.10756716  0.89243284  0.75000000  1.0
  Re  Re22  1  0.10756716  0.21513532  0.75000000  1.0
  Re  Re23  1  0.78486468  0.89243284  0.75000000  1.0
  Re  Re24  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re25  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni26  1  0.33333300  0.66666700  0.25000000  1.0
  Ni  Ni27  1  0.66666700  0.33333300  0.75000000  1.0