data_[Fe2Co6Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2906]
_cell_length_b [5.9778]
_cell_length_c [9.7557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Fe(CoGe2)3]
_chemical_formula_sum '[Fe2 Co6 Ge12]'
_cell_volume [291.4102]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.0000  1
  Co  Co1  4  0.2205  0.1673  0.7509  1
  Co  Co2  2  0.5000  0.0000  0.5000  1
  Ge  Ge3  4  0.0922  0.1444  0.4364  1
  Ge  Ge4  4  0.2799  0.6549  0.4303  1
  Ge  Ge5  4  0.4361  0.5102  0.7449  1
]