data_[Sm20Er4Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6247]
_cell_length_b [9.5773]
_cell_length_c [11.8359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm5ErMg]
_chemical_formula_sum '[Sm20 Er4 Mg4]'
_cell_volume [912.0244]
_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
[
  Sm  Sm0  8  0.1119  0.0629  0.1552  1
  Sm  Sm1  8  0.1732  0.4081  0.0376  1
  Sm  Sm2  4  0.0000  0.3881  0.2500  1
  Er  Er3  4  0.0000  0.2573  0.7500  1
  Mg  Mg4  4  0.2500  0.2500  0.5000  1
]