data_[Nd8Cr4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1640]
_cell_length_b [4.2995]
_cell_length_c [10.4494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2CrSi2]
_chemical_formula_sum '[Nd8 Cr4 Si8]'
_cell_volume [437.7361]
_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  0.0030  0.0000  0.6767  1
  Nd  Nd1  4  0.1902  0.0000  0.1056  1
  Cr  Cr2  4  0.2270  0.5000  0.3795  1
  Si  Si3  4  0.0002  0.5000  0.8802  1
  Si  Si4  4  0.1457  0.5000  0.5643  1
]