data_[Li2Ca4Ge2]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4717]
_cell_length_b [4.6749]
_cell_length_c [7.4891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCa2Ge]
_chemical_formula_sum '[Li2 Ca4 Ge2]'
_cell_volume [210.1851]
_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  0.4015  0.2500  0.3044  1.0
  Ca  Ca1  2  0.1499  0.7500  0.3983  1.0
  Ca  Ca2  2  0.2628  0.7500  0.9285  1.0
  Ge  Ge3  2  0.3586  0.2500  0.6758  1.0
]