data_[Lu4C4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7338]
_cell_length_b [3.6228]
_cell_length_c [10.1513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LuCCl]
_chemical_formula_sum '[Lu4 C4 Cl4]'
_cell_volume [246.0461]
_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  0.1477  0.0000  0.1429  1.0
  C  C1  4  0.0744  0.5000  0.9613  1.0
  Cl  Cl2  4  0.1761  0.0000  0.6889  1.0
]