data_[Er12Tl4Ga4]
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 [Cmcm]
_cell_length_a [4.5045]
_cell_length_b [17.3422]
_cell_length_c [6.7144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3TlGa]
_chemical_formula_sum '[Er12 Tl4 Ga4]'
_cell_volume [524.5177]
_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  0.4005  0.5072  1.0
  Er  Er1  4  0.0000  0.2180  0.7500  1.0
  Tl  Tl2  4  0.0000  0.0115  0.7500  1.0
  Ga  Ga3  4  0.0000  0.1763  0.2500  1.0
]