data_[La16Ga4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2537]
_cell_length_b [5.1748]
_cell_length_c [6.9667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Ga2Cu]
_chemical_formula_sum '[La16 Ga4 Cu2]'
_cell_volume [670.8377]
_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  0.0166  0.0000  0.7826  1.0
  La  La1  4  0.0912  0.5000  0.4584  1.0
  La  La2  4  0.1584  0.5000  0.9723  1.0
  La  La3  4  0.2093  0.0000  0.2972  1.0
  Ga  Ga4  4  0.1808  0.0000  0.7296  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]