data_[Lu4Cl8]
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 [Fm-3m]
_cell_length_a [6.4749]
_cell_length_b [6.4749]
_cell_length_c [6.4749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [LuCl2]
_chemical_formula_sum '[Lu4 Cl8]'
_cell_volume [271.4514]
_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
[
  Lu  Lu0  4  0.0000  0.0000  0.0000  1
  Cl  Cl1  8  0.2500  0.2500  0.2500  1
]