data_[La8Mg4Bi12]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3420]
_cell_length_b [6.8305]
_cell_length_c [9.7246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2MgBi3]
_chemical_formula_sum '[La8 Mg4 Bi12]'
_cell_volume [825.6438]
_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  8  0.1760  0.4967  0.5878  1
  Mg  Mg1  4  0.0000  0.1054  0.7500  1
  Bi  Bi2  8  0.1456  0.0038  0.0733  1
  Bi  Bi3  4  0.0000  0.4567  0.2500  1
]