data_[Sm1Y1Co4Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9735]
_cell_length_b [4.9031]
_cell_length_c [8.4800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [SmY(Co2Ni3)2]
_chemical_formula_sum '[Sm1 Y1 Co4 Ni6]'
_cell_volume [165.2130]
_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  1  0.0000  0.5000  0.0000  1.0
  Y  Y1  1  0.0000  0.0000  0.5000  1.0
  Co  Co2  2  0.0000  0.0000  0.1668  1.0
  Co  Co3  2  0.0000  0.5000  0.3341  1.0
  Ni  Ni4  4  0.5000  0.2495  0.2506  1.0
  Ni  Ni5  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni6  1  0.5000  0.5000  0.5000  1.0
]