data_[La16In4Ge2]
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 [C2/m]
_cell_length_a [17.1137]
_cell_length_b [6.8872]
_cell_length_c [6.3412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8In2Ge]
_chemical_formula_sum '[La16 In4 Ge2]'
_cell_volume [713.5000]
_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
[
  La  La0  8  0.1607  0.2540  0.0827  1
  La  La1  4  0.0038  0.5000  0.7417  1
  La  La2  4  0.1091  0.0000  0.5169  1
  In  In3  4  0.1833  0.5000  0.5930  1
  Ge  Ge4  2  0.0000  0.0000  0.0000  1
]