data_[Ca8Ge2H2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0541]
_cell_length_b [5.0635]
_cell_length_c [13.1921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca4GeH]
_chemical_formula_sum '[Ca8 Ge2 H2]'
_cell_volume [337.6085]
_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  0.3945  1
  Ca  Ca1  2  0.0000  0.0000  0.6683  1
  Ca  Ca2  2  0.5000  0.0000  0.1502  1
  Ca  Ca3  2  0.5000  0.0000  0.8854  1
  Ge  Ge4  2  0.5000  0.0000  0.5274  1
  H  H5  2  0.0000  0.0000  0.8571  1
]