data_[La2Ce2Mg28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.6003]
_cell_length_b [6.4621]
_cell_length_c [11.5381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaCeMg14]
_chemical_formula_sum '[La2 Ce2 Mg28]'
_cell_volume [790.3663]
_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  0.1633  1.0
  Ce  Ce1  2  0.5000  0.0000  0.6648  1.0
  Mg  Mg2  8  0.2367  0.2476  0.5809  1.0
  Mg  Mg3  4  0.0000  0.2493  0.9167  1.0
  Mg  Mg4  4  0.2438  0.0000  0.3374  1.0
  Mg  Mg5  4  0.2458  0.0000  0.8359  1.0
  Mg  Mg6  4  0.5000  0.2499  0.9170  1.0
  Mg  Mg7  2  0.0000  0.0000  0.1669  1.0
  Mg  Mg8  2  0.0000  0.0000  0.6672  1.0
]