data_[Zn2Re1Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6868]
_cell_length_b [2.6009]
_cell_length_c [4.7921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zn2ReNi]
_chemical_formula_sum '[Zn2 Re1 Ni1]'
_cell_volume [54.0524]
_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
[
  Zn  Zn0  1  0.0000  0.0000  0.0000  1
  Zn  Zn1  1  0.0000  0.5000  0.5000  1
  Re  Re2  1  0.5000  0.0000  0.5000  1
  Ni  Ni3  1  0.5000  0.5000  0.0000  1
]