data_[Ca6Zn2Ge10O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.8646]
_cell_length_b [7.9134]
_cell_length_c [5.0810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ca3ZnGe5O14]
_chemical_formula_sum '[Ca6 Zn2 Ge10 O28]'
_cell_volume [557.4324]
_cell_formula_units_Z [2]
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  4  0.2078  0.8938  0.9996  1
  Ca  Ca1  2  0.0000  0.2641  0.0000  1
  Zn  Zn2  2  0.0000  0.6832  0.0000  1
  Ge  Ge3  4  0.1198  0.5689  0.4941  1
  Ge  Ge4  4  0.1662  0.1863  0.5228  1
  Ge  Ge5  2  0.0000  0.9181  0.5000  1
  O  O6  4  0.0408  0.4901  0.2567  1
  O  O7  4  0.0710  0.0777  0.6868  1
  O  O8  4  0.0760  0.8434  0.2531  1
  O  O9  4  0.1132  0.7263  0.7331  1
  O  O10  4  0.1618  0.3865  0.6880  1
  O  O11  4  0.1685  0.1851  0.1850  1
  O  O12  4  0.2314  0.5984  0.3064  1
]