data_[Gd2Y2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0682]
_cell_length_b [4.3573]
_cell_length_c [10.9263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GdYGa2]
_chemical_formula_sum '[Gd2 Y2 Ga4]'
_cell_volume [193.6827]
_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
[
  Gd  Gd0  2  0.0000  0.0000  0.3605  1
  Y  Y1  2  0.5000  0.0000  0.6392  1
  Ga  Ga2  2  0.0000  0.0000  0.0768  1
  Ga  Ga3  2  0.5000  0.0000  0.9234  1
]