data_[Ce2Sc10Os12]
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 [Cmmm]
_cell_length_a [4.6066]
_cell_length_b [13.7907]
_cell_length_c [6.5119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CeSc5Os6]
_chemical_formula_sum '[Ce2 Sc10 Os12]'
_cell_volume [413.6924]
_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  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.3281  0.0000  1
  Sc  Sc2  4  0.0000  0.3316  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.5000  1
  Os  Os4  8  0.0000  0.1658  0.2506  1
  Os  Os5  4  0.0000  0.5000  0.2497  1
]