data_[Lu2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3392]
_cell_length_b [3.5599]
_cell_length_c [9.2534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LuCl3]
_chemical_formula_sum '[Lu2 Cl6]'
_cell_volume [251.2085]
_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
[
  Lu  Lu0  2  0.3851  0.7500  0.6638  1.0
  Cl  Cl1  2  0.1730  0.2500  0.7025  1.0
  Cl  Cl2  2  0.3185  0.2500  0.4295  1.0
  Cl  Cl3  2  0.4010  0.7500  0.1522  1.0
]