data_[Y4Ga12Ni4Ge4]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2075]
_cell_length_b [4.2075]
_cell_length_c [24.1165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [YGa3NiGe]
_chemical_formula_sum '[Y4 Ga12 Ni4 Ge4]'
_cell_volume [426.9262]
_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  2  0.0000  0.0000  0.1437  1.0
  Y  Y1  2  0.0000  0.0000  0.8468  1.0
  Ga  Ga2  4  0.0000  0.5000  0.0559  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2390  1.0
  Ga  Ga4  4  0.0000  0.5000  0.4472  1.0
  Ni  Ni5  2  0.0000  0.0000  0.0008  1.0
  Ni  Ni6  2  0.0000  0.0000  0.2823  1.0
  Ge  Ge7  2  0.0000  0.0000  0.3764  1.0
  Ge  Ge8  2  0.0000  0.0000  0.6491  1.0
]