data_[Ca2Ge4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8474]
_cell_length_b [7.3244]
_cell_length_c [5.0437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaGe2F8]
_chemical_formula_sum '[Ca2 Ge4 F16]'
_cell_volume [322.6474]
_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  0.0000  0.0000  1.0
  Ge  Ge1  4  0.0782  0.5000  0.2317  1.0
  F  F2  8  0.0807  0.2456  0.2621  1.0
  F  F3  4  0.1325  0.5000  0.6067  1.0
  F  F4  4  0.2219  0.0000  0.8191  1.0
]