data_[Er2Al2Ga12]
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 [8.8981]
_cell_length_b [6.8752]
_cell_length_c [6.2935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErAlGa6]
_chemical_formula_sum '[Er2 Al2 Ga12]'
_cell_volume [329.5896]
_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  2  0.0000  0.0000  0.5000  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.1361  0.3078  0.2813  1
  Ga  Ga3  4  0.1743  0.5000  0.9016  1
]