data_[Ce12Tm4Os12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9775]
_cell_length_b [9.4976]
_cell_length_c [6.7044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3TmOs3]
_chemical_formula_sum '[Ce12 Tm4 Os12]'
_cell_volume [668.3876]
_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  0.0000  0.1904  0.5000  1.0
  Ce  Ce1  4  0.0000  0.2697  0.0000  1.0
  Ce  Ce2  4  0.1966  0.5000  0.4912  1.0
  Tm  Tm3  4  0.2186  0.0000  0.9577  1.0
  Os  Os4  8  0.2377  0.2485  0.2634  1.0
  Os  Os5  4  0.0570  0.0000  0.2264  1.0
]