data_[Ce16Fe2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7966]
_cell_length_b [4.3937]
_cell_length_c [6.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8FeOs2]
_chemical_formula_sum '[Ce16 Fe2 Os4]'
_cell_volume [506.5131]
_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  0.0035  0.0000  0.2455  1.0
  Ce  Ce1  4  0.0921  0.5000  0.4684  1.0
  Ce  Ce2  4  0.1512  0.5000  0.0010  1.0
  Ce  Ce3  4  0.2174  0.0000  0.2772  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Os  Os5  4  0.1689  0.0000  0.7036  1.0
]