data_[Er6Th3Os27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3378]
_cell_length_b [5.3378]
_cell_length_c [26.0967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2ThOs9]
_chemical_formula_sum '[Er6 Th3 Os27]'
_cell_volume [643.9377]
_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
[
  Er  Er0  6  0.0000  0.0000  0.1408  1
  Th  Th1  3  0.0000  0.0000  0.0000  1
  Os  Os2  18  0.0123  0.5061  0.9158  1
  Os  Os3  6  0.0000  0.0000  0.3395  1
  Os  Os4  3  -0.0000  -0.0000  0.5000  1
]