data_[La16Er2Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1674]
_cell_length_b [5.2294]
_cell_length_c [8.3592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8ErMg2]
_chemical_formula_sum '[La16 Er2 Mg4]'
_cell_volume [752.6138]
_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  0.0504  0.0000  0.7358  1
  La  La1  4  0.0948  0.5000  0.4606  1
  La  La2  4  0.1383  0.0000  0.1919  1
  La  La3  4  0.1850  0.5000  0.9375  1
  Er  Er4  2  0.0000  0.5000  0.0000  1
  Mg  Mg5  4  0.2272  0.0000  0.6320  1
]