data_[Nd4Co4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.1280]
_cell_length_b [6.1280]
_cell_length_c [6.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [NdCoSi]
_chemical_formula_sum '[Nd4 Co4 Si4]'
_cell_volume [230.1265]
_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  0.1404  0.8596  0.3596  1.0
  Co  Co1  4  0.0785  0.4215  0.5785  1.0
  Si  Si2  4  0.1576  0.6576  0.8424  1.0
]