data_[Ce4Sc4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3783]
_cell_length_b [4.1773]
_cell_length_c [7.2214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeScOs]
_chemical_formula_sum '[Ce4 Sc4 Os4]'
_cell_volume [276.5929]
_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  0.0791  0.0000  0.8433  1.0
  Sc  Sc1  4  0.1865  0.5000  0.5763  1.0
  Os  Os2  4  0.1504  0.5000  0.1571  1.0
]