data_[La4Y2Mg2]
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 [Cm]
_cell_length_a [13.0834]
_cell_length_b [3.9159]
_cell_length_c [5.7666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2YMg]
_chemical_formula_sum '[La4 Y2 Mg2]'
_cell_volume [265.6811]
_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  0.2705  0.5000  0.2752  1.0
  La  La1  2  0.4968  0.5000  0.9927  1.0
  Y  Y2  2  0.2265  0.0000  0.7310  1.0
  Mg  Mg3  2  0.0062  0.5000  0.5012  1.0
]