data_[Y4In12Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1974]
_cell_length_b [8.3032]
_cell_length_c [13.6236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [YIn3Ni2]
_chemical_formula_sum '[Y4 In12 Ni8]'
_cell_volume [474.8036]
_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
[
  Y  Y0  4  0.0000  0.5000  0.3741  1.0
  In  In1  8  0.0000  0.2999  0.1697  1.0
  In  In2  4  0.0000  0.1673  0.5000  1.0
  Ni  Ni3  4  0.0000  0.0000  0.3012  1.0
  Ni  Ni4  4  0.0000  0.1427  0.0000  1.0
]