data_[Zr18Tl3Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.2094]
_cell_length_b [8.2094]
_cell_length_c [9.0364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zr6TlOs]
_chemical_formula_sum '[Zr18 Tl3 Os3]'
_cell_volume [527.4142]
_cell_formula_units_Z [3]
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
[
  Zr  Zr0  18  0.0151  0.2406  0.2213  1.0
  Tl  Tl1  3  0.0000  0.0000  0.5000  1.0
  Os  Os2  3  0.0000  0.0000  0.0000  1.0
]