data_[Nd3Cd4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7536]
_cell_length_b [5.0081]
_cell_length_c [15.7474]
_cell_angle_alpha [99.0430]
_cell_angle_beta [96.7247]
_cell_angle_gamma [90.0548]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3(CdIn)4]
_chemical_formula_sum '[Nd3 Cd4 In4]'
_cell_volume [290.2776]
_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  2  0.1399  0.6487  0.2833  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.2603  0.2570  0.5239  1.0
  Cd  Cd3  2  0.4051  0.9042  0.8150  1.0
  In  In4  2  0.3140  0.8066  0.6301  1.0
  In  In5  2  0.4537  0.4487  0.9046  1.0
]