data_[Sm8Er20Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [20.0146]
_cell_length_b [6.9423]
_cell_length_c [6.9179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm2Er5Ni2]
_chemical_formula_sum '[Sm8 Er20 Ni8]'
_cell_volume [961.2220]
_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  0.2311  0.0000  0.0000  1
  Er  Er1  16  0.1072  0.1767  0.3263  1
  Er  Er2  4  0.0000  0.0000  0.0000  1
  Ni  Ni3  8  0.0000  0.1217  0.6214  1
]