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 [6.8194]
_cell_length_b [6.8426]
_cell_length_c [11.8235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6Ge2HN]
_chemical_formula_sum '[Ca12 Ge4 H2 N2]'
_cell_volume [450.3892]
_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  0.1746  0.2257  0.9686  1.0
  Ca  Ca1  4  0.2420  0.7074  0.9684  1.0
  Ca  Ca2  4  0.3012  0.0090  0.7407  1.0
  Ge  Ge3  4  0.2441  0.0276  0.2499  1.0
  H  H4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]