data_[Nd8Re4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3681]
_cell_length_b [4.2535]
_cell_length_c [10.4463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2ReSi2]
_chemical_formula_sum '[Nd8 Re4 Si8]'
_cell_volume [437.6511]
_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
[
  Nd  Nd0  4  0.0082  0.0000  0.6797  1.0
  Nd  Nd1  4  0.1866  0.0000  0.1092  1.0
  Si  Si2  4  0.0049  0.5000  0.1257  1.0
  Si  Si3  4  0.1533  0.5000  0.5614  1.0
  Re  Re4  4  0.2221  0.5000  0.3726  1.0
]