data_[Y12Tm12Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6183]
_cell_length_b [13.0747]
_cell_length_c [18.2207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y3Tm3Ni2]
_chemical_formula_sum '[Y12 Tm12 Ni8]'
_cell_volume [861.9993]
_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
[
  Y  Y0  8  0.0000  0.3234  0.5653  1
  Y  Y1  4  0.0000  0.4699  0.2500  1
  Tm  Tm2  8  0.0000  0.0626  0.5835  1
  Tm  Tm3  4  0.0000  0.2501  0.7500  1
  Ni  Ni4  8  0.0000  0.3083  0.1390  1
]