data_[Ca9Mn9Ge3O24]
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
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4632]
_cell_length_b [6.4632]
_cell_length_c [16.1564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca3Mn3GeO8]
_chemical_formula_sum '[Ca9 Mn9 Ge3 O24]'
_cell_volume [584.4852]
_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
  Mn  Mn1  9  0.0000  0.5000  0.0000  1.0
  Ge  Ge2  3  0.0000  0.0000  0.0000  1.0
  O  O3  18  0.0414  0.5207  0.7354  1.0
  O  O4  6  0.0000  0.0000  0.2541  1.0
]