data_[La2Mg28Bi2]
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 [Amm2]
_cell_length_a [10.5324]
_cell_length_b [6.5302]
_cell_length_c [11.4974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaMg14Bi]
_chemical_formula_sum '[La2 Mg28 Bi2]'
_cell_volume [790.7754]
_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  2  0.5000  0.0000  0.1663  1.0
  Mg  Mg1  8  0.2396  0.2492  0.5809  1.0
  Mg  Mg2  4  0.0000  0.2494  0.9166  1.0
  Mg  Mg3  4  0.2429  0.0000  0.3360  1.0
  Mg  Mg4  4  0.2491  0.0000  0.8358  1.0
  Mg  Mg5  4  0.5000  0.2458  0.4169  1.0
  Mg  Mg6  2  0.0000  0.0000  0.1671  1.0
  Mg  Mg7  2  0.0000  0.0000  0.6674  1.0
  Bi  Bi8  2  0.5000  0.0000  0.6650  1.0
]