data_[Ca2La2Fe4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2575]
_cell_length_b [4.3555]
_cell_length_c [16.7306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaLa(FeGe2)2]
_chemical_formula_sum '[Ca2 La2 Fe4 Ge8]'
_cell_volume [310.2488]
_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  0.1069  1
  La  La1  2  0.5000  0.0000  0.8921  1
  Fe  Fe2  2  0.0000  0.0000  0.3157  1
  Fe  Fe3  2  0.5000  0.0000  0.6846  1
  Ge  Ge4  2  0.0000  0.0000  0.4541  1
  Ge  Ge5  2  0.0000  0.0000  0.7504  1
  Ge  Ge6  2  0.5000  0.0000  0.2498  1
  Ge  Ge7  2  0.5000  0.0000  0.5464  1
]