data_[Mn18Zn6O42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.6095]
_cell_length_b [7.6095]
_cell_length_c [14.0121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn3ZnO7]
_chemical_formula_sum '[Mn18 Zn6 O42]'
_cell_volume [702.6513]
_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  0.0488  0.8052  0.6645  1
  Zn  Zn1  6  0.0000  0.0000  0.1252  1
  O  O2  18  0.0449  0.8062  0.4035  1
  O  O3  18  0.0550  0.7936  0.9252  1
  O  O4  6  0.0000  0.0000  0.2645  1
]