data_[Ce12Y4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9626]
_cell_length_b [4.0263]
_cell_length_c [9.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3YOs2]
_chemical_formula_sum '[Ce12 Y4 Os8]'
_cell_volume [577.5354]
_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  0.0530  0.0000  0.3786  1.0
  Ce  Ce1  4  0.1346  0.5000  0.7339  1.0
  Ce  Ce2  4  0.2215  0.5000  0.3827  1.0
  Y  Y3  4  0.1096  0.0000  0.0338  1.0
  Os  Os4  4  0.0291  0.5000  0.1740  1.0
  Os  Os5  4  0.2415  0.0000  0.8951  1.0
]