data_[Nd2Cu2Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.0113]
_cell_length_b [6.7605]
_cell_length_c [5.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NdCuSn3]
_chemical_formula_sum '[Nd2 Cu2 Sn6]'
_cell_volume [254.0187]
_cell_formula_units_Z [2]
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  2  0.4729  0.0000  0.8771  1
  Cu  Cu1  2  0.1931  0.5000  0.5121  1
  Sn  Sn2  4  0.4088  0.2693  0.3348  1
  Sn  Sn3  2  0.0145  0.0000  0.9373  1
]