data_[Nd2In8Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5536]
_cell_length_b [7.3155]
_cell_length_c [8.7487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdIn4Cu]
_chemical_formula_sum '[Nd2 In8 Cu2]'
_cell_volume [283.2077]
_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  0.1172  0.2500  0.7305  1.0
  In  In1  4  0.3133  0.0472  0.1304  1.0
  In  In2  2  0.0709  0.7500  0.6472  1.0
  In  In3  2  0.5000  0.0000  0.5000  1.0
  Cu  Cu4  2  0.2278  0.7500  0.9573  1.0
]