data_[Ca2Ce2Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7977]
_cell_length_b [3.9674]
_cell_length_c [12.0930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaCeTl]
_chemical_formula_sum '[Ca2 Ce2 Tl2]'
_cell_volume [182.0281]
_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
[
  Ca  Ca0  2  0.2364  0.2500  0.8787  1.0
  Ce  Ce1  2  0.1700  0.2500  0.5575  1.0
  Tl  Tl2  2  0.2976  0.2500  0.2781  1.0
]