data_[Er16Al2Ga4]
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 [C2/m]
_cell_length_a [17.7083]
_cell_length_b [4.9809]
_cell_length_c [6.8008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8AlGa2]
_chemical_formula_sum '[Er16 Al2 Ga4]'
_cell_volume [586.1221]
_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  0.0263  0.0000  0.7599  1.0
  Er  Er1  4  0.0914  0.5000  0.4579  1.0
  Er  Er2  4  0.1632  0.5000  0.9585  1.0
  Er  Er3  4  0.1981  0.0000  0.3036  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.1939  0.0000  0.7343  1.0
]