data_[Re4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3790]
_cell_length_b [2.6275]
_cell_length_c [6.1550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReNi2]
_chemical_formula_sum '[Re4 Ni8]'
_cell_volume [146.0025]
_cell_formula_units_Z [4]
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
[
  Re  Re0  4  0.0228  0.5000  0.8000  1.0
  Ni  Ni1  4  0.1412  0.0000  0.5314  1.0
  Ni  Ni2  4  0.1966  0.0000  0.1343  1.0
]