data_[Er24Tl12O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.4108]
_cell_length_b [17.0047]
_cell_length_c [5.3064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er6Tl3O]
_chemical_formula_sum '[Er24 Tl12 O4]'
_cell_volume [1029.6376]
_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  0.1668  0.4153  0.1503  1.0
  Er  Er1  8  0.1707  0.2723  0.6563  1.0
  Er  Er2  4  0.0000  0.0873  0.6488  1.0
  Er  Er3  4  0.0000  0.2344  0.1688  1.0
  Tl  Tl4  8  0.1633  0.0780  0.1467  1.0
  Tl  Tl5  4  0.0000  0.4233  0.6488  1.0
  O  O6  4  0.0000  0.2142  0.6123  1.0
]