data_[Ca2Ni2Ge4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7530]
_cell_length_b [8.3376]
_cell_length_c [4.6806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaNiGe2O7]
_chemical_formula_sum '[Ca2 Ni2 Ge4 O14]'
_cell_volume [261.9035]
_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  2  0.0000  0.7326  0.0000  1
  Ni  Ni1  2  0.0000  0.3272  0.0000  1
  Ge  Ge2  4  0.2342  0.9932  0.4383  1
  O  O3  4  0.1112  0.5091  0.2403  1
  O  O4  4  0.1969  0.1710  0.2397  1
  O  O5  4  0.2027  0.3250  0.7703  1
  O  O6  2  0.0000  0.9041  0.5000  1
]