data_[Nd2Cu3Si1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8576]
_cell_length_b [4.1918]
_cell_length_c [7.4950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd2Cu3Si]
_chemical_formula_sum '[Nd2 Cu3 Si1]'
_cell_volume [121.1950]
_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  0.4984  1
  Nd  Nd1  1  0.0000  0.5000  0.0012  1
  Cu  Cu2  1  0.5000  0.0000  0.1746  1
  Cu  Cu3  1  0.5000  0.0000  0.8389  1
  Si  Si4  1  0.5000  0.5000  0.3306  1
  Cu  Cu5  1  0.5000  0.5000  0.6563  1
]