data_[Ce8Er2Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1259]
_cell_length_b [4.6099]
_cell_length_c [4.8524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4ErTl3]
_chemical_formula_sum '[Ce8 Er2 Tl6]'
_cell_volume [443.5580]
_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
[
  Ce  Ce0  4  0.1329  0.5000  0.5755  1.0
  Ce  Ce1  4  0.2365  0.5000  0.2708  1.0
  Er  Er2  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  4  0.1230  0.0000  0.0676  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
]