data_[Er24Tl4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5791]
_cell_length_b [9.5802]
_cell_length_c [10.5297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er6TlGa2]
_chemical_formula_sum '[Er24 Tl4 Ga8]'
_cell_volume [966.3092]
_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
[
  Er  Er0  8  0.0000  0.2975  0.3213  1.0
  Er  Er1  8  0.1844  0.2783  0.0000  1.0
  Er  Er2  8  0.2035  0.0000  0.2418  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga5  4  0.0000  0.5000  0.1211  1.0
  Ga  Ga6  4  0.1468  0.5000  0.5000  1.0
]