data_[Y4Ga12Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7227]
_cell_length_b [4.1453]
_cell_length_c [23.1843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Y2Ga6Ni]
_chemical_formula_sum '[Y4 Ga12 Ni2]'
_cell_volume [357.7806]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0030  1
  Y  Y1  2  0.0000  0.0000  0.6724  1
  Ga  Ga2  2  0.0000  0.0000  0.2891  1
  Ga  Ga3  2  0.0000  0.0000  0.4028  1
  Ga  Ga4  2  0.5000  0.0000  0.1155  1
  Ga  Ga5  2  0.5000  0.0000  0.5532  1
  Ga  Ga6  2  0.5000  0.0000  0.7824  1
  Ga  Ga7  2  0.5000  0.0000  0.8928  1
  Ni  Ni8  2  0.5000  0.0000  0.2197  1
]