data_[Tm18Zr6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.4204]
_cell_length_b [9.4204]
_cell_length_c [11.1017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm3ZrO6]
_chemical_formula_sum '[Tm18 Zr6 O36]'
_cell_volume [853.2135]
_cell_formula_units_Z [6]
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
[
  Tm  Tm0  18  0.0371  0.7811  0.7166  1.0
  Zr  Zr1  3  0.0000  0.0000  0.0000  1.0
  Zr  Zr2  3  0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0284  0.7984  0.9138  1.0
  O  O4  18  0.0324  0.8435  0.3820  1.0
]