data_[La8Y4Mg4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1690]
_cell_length_b [17.6061]
_cell_length_c [12.7529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2YMgSe5]
_chemical_formula_sum '[La8 Y4 Mg4 Se20]'
_cell_volume [936.0697]
_cell_formula_units_Z [4]
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  0.0000  0.1113  0.6870  1.0
  La  La1  4  0.0000  0.1353  0.3051  1.0
  Y  Y2  4  0.0000  0.2053  0.0110  1.0
  Mg  Mg3  4  0.0000  0.4665  0.4586  1.0
  Se  Se4  4  0.0000  0.0493  0.0669  1.0
  Se  Se5  4  0.0000  0.2847  0.6667  1.0
  Se  Se6  4  0.0000  0.3160  0.3572  1.0
  Se  Se7  4  0.0000  0.3666  0.0003  1.0
  Se  Se8  4  0.0000  0.4926  0.7712  1.0
]