data_[Ce12Er4Os12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8949]
_cell_length_b [9.3933]
_cell_length_c [6.6674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3ErOs3]
_chemical_formula_sum '[Ce12 Er4 Os12]'
_cell_volume [651.2638]
_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  0.1905  0.5000  1.0
  Ce  Ce1  4  0.0000  0.2692  0.0000  1.0
  Ce  Ce2  4  0.1966  0.5000  0.4897  1.0
  Er  Er3  4  0.2198  0.0000  0.9590  1.0
  Os  Os4  8  0.2372  0.2485  0.2662  1.0
  Os  Os5  4  0.0565  0.0000  0.2271  1.0
]