data_[Li4Ca2Ga2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2050]
_cell_length_b [7.8313]
_cell_length_c [7.2369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li2CaGaGe2]
_chemical_formula_sum '[Li4 Ca2 Ga2 Ge4]'
_cell_volume [238.3141]
_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
[
  Li  Li0  2  0.0000  0.1803  0.3591  1.0
  Li  Li1  2  0.5000  0.0697  0.0373  1.0
  Ca  Ca2  2  0.0000  0.4271  0.9924  1.0
  Ga  Ga3  2  0.5000  0.3095  0.6501  1.0
  Ge  Ge4  2  0.0000  0.1249  0.7247  1.0
  Ge  Ge5  2  0.5000  0.3669  0.2821  1.0
]