data_[Ca2Yb6In4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Yb  1.1000  1.7500  1.0840
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4986]
_cell_length_b [10.2458]
_cell_length_c [10.2818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaYb3(InGe2)2]
_chemical_formula_sum '[Ca2 Yb6 In4 Ge8]'
_cell_volume [473.9101]
_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  0.1740  1.0
  Yb  Yb1  4  0.0000  0.1726  0.5001  1.0
  Yb  Yb2  2  0.0000  0.0000  0.8267  1.0
  In  In3  4  0.5000  0.2496  0.7501  1.0
  Ge  Ge4  4  0.5000  0.1239  0.9986  1.0
  Ge  Ge5  2  0.5000  0.0000  0.3773  1.0
  Ge  Ge6  2  0.5000  0.0000  0.6242  1.0
]