data_[Ca12Ge4H2N2]
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
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8348]
_cell_length_b [6.8581]
_cell_length_c [11.8486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6Ge2HN]
_chemical_formula_sum '[Ca12 Ge4 H2 N2]'
_cell_volume [453.3636]
_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  0.1747  0.7258  0.4686  1
  Ca  Ca1  4  0.2419  0.2074  0.4684  1
  Ca  Ca2  4  0.3011  0.5089  0.2406  1
  Ge  Ge3  4  0.2441  0.5276  0.7499  1
  H  H4  2  0.5000  0.0000  0.0000  1
  N  N5  2  0.0000  0.0000  0.5000  1
]