data_[Lu4Ni4Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4367]
_cell_length_b [28.2038]
_cell_length_c [4.4506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LuNiSn4]
_chemical_formula_sum '[Lu4 Ni4 Sn16]'
_cell_volume [556.9137]
_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
[
  Lu  Lu0  4  0.0000  0.3057  0.0000  1.0
  Ni  Ni1  4  0.0000  0.0527  0.5000  1.0
  Sn  Sn2  4  0.0000  0.1107  0.0000  1.0
  Sn  Sn3  4  0.0000  0.2134  0.5000  1.0
  Sn  Sn4  4  0.0000  0.3891  0.5000  1.0
  Sn  Sn5  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn6  2  0.0000  0.5000  0.5000  1.0
]