data_[La4Y12Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.9626]
_cell_length_b [10.3905]
_cell_length_c [5.5914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [La2Y6Mg]
_chemical_formula_sum '[La4 Y12 Mg2]'
_cell_volume [578.7996]
_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  4  0.1881  0.2573  0.5000  1.0
  Y  Y1  4  0.0147  0.1758  0.0000  1.0
  Y  Y2  4  0.1415  0.6062  0.5000  1.0
  Y  Y3  4  0.1765  0.9318  0.5000  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
]