data_[Sm6Ho6Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8508]
_cell_length_b [10.6954]
_cell_length_c [10.8181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sm3Ho3Ni4]
_chemical_formula_sum '[Sm6 Ho6 Ni8]'
_cell_volume [445.5535]
_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  0.0000  0.2483  0.2532  1
  Sm  Sm1  2  0.5000  0.0000  0.1595  1
  Ho  Ho2  4  0.5000  0.1638  0.5033  1
  Ho  Ho3  2  0.5000  0.0000  0.8319  1
  Ni  Ni4  4  0.0000  0.1221  0.9939  1
  Ni  Ni5  2  0.0000  0.0000  0.3850  1
  Ni  Ni6  2  0.0000  0.0000  0.6228  1
]