data_[Re2Si4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.0452]
_cell_length_b [4.2431]
_cell_length_c [7.9297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [ReSi2Ni]
_chemical_formula_sum '[Re2 Si4 Ni2]'
_cell_volume [102.4626]
_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
[
  Si  Si0  2  0.0000  0.0000  0.0433  1
  Si  Si1  2  0.0000  0.0000  0.5326  1
  Re  Re2  2  0.0000  0.5000  0.2136  1
  Ni  Ni3  2  0.0000  0.5000  0.6881  1
]