data_[Cr4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0760]
_cell_length_b [10.5228]
_cell_length_c [6.7601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrCl3]
_chemical_formula_sum '[Cr4 Cl12]'
_cell_volume [413.7648]
_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
[
  Cr  Cr0  4  0.0000  0.1666  0.0000  1.0
  Cl  Cl1  8  0.2464  0.3201  0.2068  1.0
  Cl  Cl2  4  0.2065  0.0000  0.2072  1.0
]