data_[La4Ga16Cu4]
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 [Cmcm]
_cell_length_a [4.2744]
_cell_length_b [16.0066]
_cell_length_c [6.6836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaGa4Cu]
_chemical_formula_sum '[La4 Ga16 Cu4]'
_cell_volume [457.2797]
_cell_formula_units_Z [4]
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  0.0000  0.1144  0.2500  1.0
  Ga  Ga1  8  0.0000  0.3148  0.0527  1.0
  Ga  Ga2  4  0.0000  0.0752  0.7500  1.0
  Ga  Ga3  4  0.0000  0.5000  0.0000  1.0
  Cu  Cu4  4  0.0000  0.2261  0.7500  1.0
]