data_[La16Zn2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6969]
_cell_length_b [5.0834]
_cell_length_c [7.4911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8ZnGa2]
_chemical_formula_sum '[La16 Zn2 Ga4]'
_cell_volume [671.5480]
_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  4  0.0141  0.0000  0.7626  1.0
  La  La1  4  0.0880  0.5000  0.4566  1.0
  La  La2  4  0.1646  0.5000  0.9648  1.0
  La  La3  4  0.2040  0.0000  0.3062  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.1774  0.0000  0.7014  1.0
]