data_[Sm4Zn4Cu4]
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 [Ima2]
_cell_length_a [4.4173]
_cell_length_b [7.5395]
_cell_length_c [7.0004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [SmZnCu]
_chemical_formula_sum '[Sm4 Zn4 Cu4]'
_cell_volume [233.1452]
_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  4  0.2500  0.2134  0.9984  1
  Zn  Zn1  4  0.2500  0.5857  0.7998  1
  Cu  Cu2  4  0.2500  0.5842  0.2018  1
]