data_[Sr2Ca2Ge2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.5285]
_cell_length_b [6.5285]
_cell_length_c [12.7226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [SrCaGeCl6]
_chemical_formula_sum '[Sr2 Ca2 Ge2 Cl12]'
_cell_volume [542.2477]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.6670  1.0
  Ca  Ca1  2  0.0000  0.0000  0.3335  1.0
  Ge  Ge2  2  0.0000  0.0000  0.9997  1.0
  Cl  Cl3  4  0.1857  0.8143  0.1636  1.0
  Cl  Cl4  4  0.1991  0.8009  0.8436  1.0
  Cl  Cl5  4  0.2047  0.7953  0.4928  1.0
]