data_[Ce12Mg4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.6486]
_cell_length_b [13.2896]
_cell_length_c [7.0218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ce3MgOs2]
_chemical_formula_sum '[Ce12 Mg4 Os8]'
_cell_volume [620.4258]
_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  8  0.0000  0.2233  0.2500  1.0
  Ce  Ce1  4  0.0000  0.5000  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  Os  Os3  8  0.2091  0.3597  0.0000  1.0
]