data_[La4In5Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7986]
_cell_length_b [4.6152]
_cell_length_c [8.9441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4In5Ge2]
_chemical_formula_sum '[La4 In5 Ge2]'
_cell_volume [321.6047]
_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
[
  La  La0  2  0.2061  0.5000  0.8568  1.0
  La  La1  2  0.2303  0.5000  0.4095  1.0
  In  In2  2  0.1360  0.0000  0.1300  1.0
  In  In3  2  0.4518  0.0000  0.6622  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Ge  Ge5  2  0.0797  0.0000  0.6264  1.0
]