data_[Sr1Ce1Tl2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0204]
_cell_length_b [8.8505]
_cell_length_c [7.1483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrCe(TlCl4)2]
_chemical_formula_sum '[Sr1 Ce1 Tl2 Cl8]'
_cell_volume [443.8145]
_cell_formula_units_Z [1]
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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.5000  0.2547  0.5000  1.0
  Cl  Cl3  4  0.2109  0.2266  0.8665  1.0
  Cl  Cl4  2  0.2057  0.0000  0.3092  1.0
  Cl  Cl5  2  0.2592  0.5000  0.3177  1.0
]