data_[Ce2Er8Tl14]
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 [13.3251]
_cell_length_b [5.7708]
_cell_length_c [11.4134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeEr4Tl7]
_chemical_formula_sum '[Ce2 Er8 Tl14]'
_cell_volume [728.7259]
_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  2  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0845  0.5000  0.7827  1
  Er  Er2  4  0.2191  0.5000  0.3275  1
  Tl  Tl3  4  0.0805  0.0000  0.3314  1
  Tl  Tl4  4  0.1354  0.5000  0.5465  1
  Tl  Tl5  4  0.2126  0.0000  0.8953  1
  Tl  Tl6  2  0.0000  0.5000  0.0000  1
]