data_[Cd12In4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [10.5004]
_cell_length_b [7.9728]
_cell_length_c [7.1127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3InNi]
_chemical_formula_sum '[Cd12 In4 Ni4]'
_cell_volume [451.9168]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  8  0.2422  0.6812  0.7930  1
  Cd  Cd1  4  0.0573  0.5000  0.2535  1
  In  In2  4  0.0759  0.0000  0.3715  1
  Ni  Ni3  4  0.2383  0.0000  0.8605  1
]