data_[La4Y4Mg2]
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 [C2/m]
_cell_length_a [16.4858]
_cell_length_b [5.7703]
_cell_length_c [3.5602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Y2Mg]
_chemical_formula_sum '[La4 Y4 Mg2]'
_cell_volume [331.5702]
_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  0.1077  0.5000  0.3372  1
  Y  Y1  4  0.1932  0.0000  0.9786  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
]