data_[Li4Cr8Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.6177]
_cell_length_b [6.6177]
_cell_length_c [4.8514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [LiCr2Ge]
_chemical_formula_sum '[Li4 Cr8 Ge4]'
_cell_volume [212.4593]
_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
[
  Li  Li0  4  0.0000  0.0000  0.5000  1
  Cr  Cr1  8  0.2424  0.2500  0.1250  1
  Ge  Ge2  4  0.0000  0.0000  0.0000  1
]