data_[Nd1Co6Si4]
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 [P-6m2]
_cell_length_a [6.6317]
_cell_length_b [6.6317]
_cell_length_c [3.6519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Nd(Co3Si2)2]
_chemical_formula_sum '[Nd1 Co6 Si4]'
_cell_volume [139.0914]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Co  Co1  3  0.2065  0.4131  0.5000  1
  Co  Co2  3  0.5341  0.0683  0.0000  1
  Si  Si3  3  0.4030  0.2015  0.5000  1
  Si  Si4  1  0.3333  0.6667  0.0000  1
]