data_[Er2Th2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [17.7304]
_cell_length_b [3.4878]
_cell_length_c [19.3761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErThCl5]
_chemical_formula_sum '[Er2 Th2 Cl10]'
_cell_volume [1198.2089]
_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
[
  Er  Er0  2  0.2500  0.0000  0.5134  1
  Th  Th1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  4  0.0467  0.0000  0.6055  1
  Cl  Cl3  4  0.1550  0.5000  0.4503  1
  Cl  Cl4  2  0.2500  0.5000  0.6129  1
]