data_[Ca16Ge4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5544]
_cell_length_b [13.8289]
_cell_length_c [6.7384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca4GeSb]
_chemical_formula_sum '[Ca16 Ge4 Sb4]'
_cell_volume [759.5320]
_cell_formula_units_Z [4]
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  8  0.1182  0.1766  0.0964  1.0
  Ca  Ca1  8  0.2061  0.4360  0.2873  1.0
  Ge  Ge2  4  0.0000  0.0018  0.7500  1.0
  Sb  Sb3  4  0.0000  0.3659  0.7500  1.0
]