data_[Mn18Te6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9900]
_cell_length_b [8.9900]
_cell_length_c [10.8456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn3TeO6]
_chemical_formula_sum '[Mn18 Te6 O36]'
_cell_volume [759.1039]
_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
[
  Mn  Mn0  18  0.0387  0.7752  0.2129  1.0
  Te  Te1  3  0.0000  0.0000  0.0000  1.0
  Te  Te2  3  0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0275  0.8438  0.8883  1.0
  O  O4  18  0.0321  0.8341  0.4028  1.0
]