data_[Er4Tl4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4744]
_cell_length_b [17.2377]
_cell_length_c [6.7643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErTlCl4]
_chemical_formula_sum '[Er4 Tl4 Cl16]'
_cell_volume [902.4125]
_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  4  0.0000  0.0671  0.7500  1
  Tl  Tl1  4  0.0000  0.3179  0.7500  1
  Cl  Cl2  8  0.1845  0.0474  0.1693  1
  Cl  Cl3  8  0.2147  0.1702  0.7428  1
]