data_[Ni7Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2581]
_cell_length_b [4.0884]
_cell_length_c [12.4622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ni7Sn8]
_chemical_formula_sum '[Ni7 Sn8]'
_cell_volume [263.0959]
_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
[
  Ni  Ni0  2  0.1266  0.0000  0.7857  1.0
  Ni  Ni1  2  0.3723  0.5000  0.7090  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni4  1  0.5000  0.5000  0.5000  1.0
  Sn  Sn5  2  0.1424  0.5000  0.3318  1.0
  Sn  Sn6  2  0.2207  0.5000  0.9204  1.0
  Sn  Sn7  2  0.2575  0.0000  0.5697  1.0
  Sn  Sn8  2  0.3535  0.0000  0.1833  1.0
]