data_[Tb36Cu18Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2947]
_cell_length_b [12.2947]
_cell_length_c [12.0261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12Cu6Os]
_chemical_formula_sum '[Tb36 Cu18 Os3]'
_cell_volume [1574.3256]
_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
[
  Tb  Tb0  18  0.0243  0.2013  0.3911  1
  Tb  Tb1  18  0.0380  0.1978  0.8763  1
  Cu  Cu2  18  0.0412  0.2688  0.6439  1
  Os  Os3  3  0.0000  0.0000  0.0000  1
]