data_[Ca16Ge4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.1677]
_cell_length_b [6.0078]
_cell_length_c [11.5188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ca4GeO6]
_chemical_formula_sum '[Ca16 Ge4 O24]'
_cell_volume [713.1552]
_cell_formula_units_Z [4]
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  0.1441  0.3623  0.5382  1
  Ca  Ca1  4  0.1770  0.1419  0.8212  1
  Ca  Ca2  4  0.3569  0.3639  0.3823  1
  Ca  Ca3  4  0.4741  0.2121  0.7128  1
  Ge  Ge4  4  0.4051  0.2490  0.0978  1
  O  O5  4  0.0140  0.0365  0.5908  1
  O  O6  4  0.1641  0.2170  0.3656  1
  O  O7  4  0.2480  0.3363  0.0039  1
  O  O8  4  0.2969  0.3415  0.7393  1
  O  O9  4  0.4437  0.0009  0.5323  1
  O  O10  4  0.4559  0.1842  0.2616  1
]