data_[Sm4Cu5Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9182]
_cell_length_b [3.9702]
_cell_length_c [7.8894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Cu5Ni2]
_chemical_formula_sum '[Sm4 Cu5 Ni2]'
_cell_volume [216.6780]
_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  0.2257  0.5000  0.1433  1
  Sm  Sm1  2  0.2473  0.5000  0.6200  1
  Cu  Cu2  2  0.1318  0.0000  0.8855  1
  Cu  Cu3  2  0.4269  0.0000  0.3550  1
  Cu  Cu4  1  0.5000  0.0000  0.0000  1
  Ni  Ni5  2  0.0727  0.0000  0.3674  1
]