data_[Sm5Zn1Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5688]
_cell_length_b [3.5688]
_cell_length_c [17.7198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm5ZnCu4]
_chemical_formula_sum '[Sm5 Zn1 Cu4]'
_cell_volume [225.6895]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.1036  1.0
  Sm  Sm1  2  0.5000  0.5000  0.3017  1.0
  Sm  Sm2  1  0.5000  0.5000  0.5000  1.0
  Zn  Zn3  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu4  2  0.0000  0.0000  0.2021  1.0
  Cu  Cu5  2  0.0000  0.0000  0.4017  1.0
]