data_[Li4Ca1Yb1Ge2]
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
  Yb  1.1000  1.7500  1.0840
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5721]
_cell_length_b [5.7656]
_cell_length_c [6.2450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Li4CaYbGe2]
_chemical_formula_sum '[Li4 Ca1 Yb1 Ge2]'
_cell_volume [164.6237]
_cell_formula_units_Z [1]
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  0.2269  0.3980  1
  Li  Li1  2  0.5000  0.2737  0.6017  1
  Ca  Ca2  1  0.0000  0.0000  0.9270  1
  Yb  Yb3  1  0.5000  0.5000  0.0730  1
  Ge  Ge4  1  0.0000  0.5000  0.7440  1
  Ge  Ge5  1  0.5000  0.0000  0.2566  1
]