data_[Ca12Mn9Zn3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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-3m]
_cell_length_a [6.6125]
_cell_length_b [6.6125]
_cell_length_c [15.8734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca4Mn3ZnO8]
_chemical_formula_sum '[Ca12 Mn9 Zn3 O24]'
_cell_volume [601.0820]
_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
[
  Ca  Ca0  9  0.0000  0.5000  0.5000  1.0
  Ca  Ca1  3  -0.0000  -0.0000  0.5000  1.0
  Mn  Mn2  9  0.0000  0.5000  0.0000  1.0
  Zn  Zn3  3  0.0000  0.0000  0.0000  1.0
  O  O4  18  0.0019  0.5009  0.7453  1.0
  O  O5  6  0.0000  0.0000  0.2542  1.0
]