data_[Ce4Os4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2611]
_cell_length_b [4.1962]
_cell_length_c [10.8431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeOsCl]
_chemical_formula_sum '[Ce4 Os4 Cl4]'
_cell_volume [330.1670]
_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
[
  Ce  Ce0  4  0.0103  0.0000  0.6891  1.0
  Os  Os1  4  0.1656  0.5000  0.4790  1.0
  Cl  Cl2  4  0.1849  0.5000  0.8434  1.0
]