data_[La3Mg1Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3156]
_cell_length_b [5.3156]
_cell_length_c [8.6916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La3MgCu8]
_chemical_formula_sum '[La3 Mg1 Cu8]'
_cell_volume [212.6811]
_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  1  0.0000  0.0000  0.0741  1.0
  La  La1  1  0.6667  0.3333  0.5508  1.0
  La  La2  1  0.6667  0.3333  0.9427  1.0
  Mg  Mg3  1  0.0000  0.0000  0.4453  1.0
  Cu  Cu4  3  0.0097  0.5048  0.2572  1.0
  Cu  Cu5  3  0.1680  0.3360  0.7430  1.0
  Cu  Cu6  1  0.3333  0.6667  0.4954  1.0
  Cu  Cu7  1  0.3333  0.6667  0.9909  1.0
]