data_[Zr3Re3Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4585]
_cell_length_b [4.5129]
_cell_length_c [5.7401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zr3Re3Ni2]
_chemical_formula_sum '[Zr3 Re3 Ni2]'
_cell_volume [130.8840]
_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  0.1659  0.0000  0.3949  1
  Zr  Zr1  1  0.3706  0.5000  0.1225  1
  Zr  Zr2  1  0.8393  0.5000  0.6208  1
  Re  Re3  1  0.1238  0.0000  0.8737  1
  Re  Re4  1  0.6417  0.0000  0.8843  1
  Re  Re5  1  0.8589  0.5000  0.1113  1
  Ni  Ni6  1  0.3420  0.5000  0.6548  1
  Ni  Ni7  1  0.6579  0.0000  0.3377  1
]