data_[Ce12P4Os2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  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 [17.8520]
_cell_length_b [4.0509]
_cell_length_c [8.3508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6P2OsCl3]
_chemical_formula_sum '[Ce12 P4 Os2 Cl6]'
_cell_volume [588.4228]
_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
[
  Ce  Ce0  4  0.0026  0.0000  0.2325  1
  Ce  Ce1  4  0.1584  0.5000  0.0945  1
  Ce  Ce2  4  0.1711  0.5000  0.5756  1
  P  P3  4  0.1658  0.0000  0.3366  1
  Os  Os4  2  0.0000  0.5000  0.0000  1
  Cl  Cl5  4  0.1700  0.0000  0.8355  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]