data_[Ce12Tl6Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3076]
_cell_length_b [6.8765]
_cell_length_c [8.3235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Tl3Os]
_chemical_formula_sum '[Ce12 Tl6 Os2]'
_cell_volume [569.4910]
_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  8  0.1213  0.2072  0.3719  1
  Ce  Ce1  4  0.1468  0.5000  0.8604  1
  Tl  Tl2  4  0.1831  0.0000  0.7518  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Os  Os4  2  0.0000  0.5000  0.5000  1
]