data_[Er6Al8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1931]
_cell_length_b [7.0484]
_cell_length_c [14.7000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3(AlGa)4]
_chemical_formula_sum '[Er6 Al8 Ga8]'
_cell_volume [434.4545]
_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
[
  Er  Er0  4  0.0000  0.0000  0.1246  1.0
  Er  Er1  2  0.0000  0.5000  0.0000  1.0
  Al  Al2  8  0.0000  0.1869  0.3415  1.0
  Ga  Ga3  4  0.0000  0.3180  0.5000  1.0
  Ga  Ga4  4  0.0000  0.5000  0.2214  1.0
]