data_[Nd4In6Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5194]
_cell_length_b [4.3185]
_cell_length_c [7.4825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2In3Ni2]
_chemical_formula_sum '[Nd4 In6 Ni4]'
_cell_volume [307.6279]
_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  4  0.1451  0.0000  0.7921  1.0
  In  In1  4  0.1323  0.5000  0.4448  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  4  0.1441  0.0000  0.2040  1.0
]