data_[Sm8Si18Ni14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.0699]
_cell_length_b [11.3992]
_cell_length_c [5.6597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Sm4Si9Ni7]
_chemical_formula_sum '[Sm8 Si18 Ni14]'
_cell_volume [616.2763]
_cell_formula_units_Z [2]
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  0.2361  0.1295  0.9877  1.0
  Sm  Sm1  4  0.2408  0.8691  0.4868  1.0
  Si  Si2  4  0.1400  0.3891  0.8999  1.0
  Si  Si3  4  0.1518  0.6088  0.4050  1.0
  Si  Si4  2  0.0000  0.0016  0.0000  1.0
  Si  Si5  2  0.0000  0.2646  0.5000  1.0
  Si  Si6  2  0.0000  0.7333  0.0000  1.0
  Si  Si7  2  0.0000  0.7377  0.5000  1.0
  Si  Si8  2  0.0000  0.9928  0.5000  1.0
  Ni  Ni9  4  0.1110  0.1273  0.3690  1.0
  Ni  Ni10  4  0.1143  0.8650  0.8686  1.0
  Ni  Ni11  2  0.0000  0.2761  0.0000  1.0
  Ni  Ni12  2  0.0000  0.5040  0.5000  1.0
  Ni  Ni13  2  0.0000  0.5124  0.0000  1.0
]