data_NiSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   8.14
_cell_angle_alpha   109.16
_cell_angle_beta   109.16
_cell_angle_gamma   29.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSn5
_chemical_formula_sum   'Ni1 Sn5'
_cell_volume   148.64
_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  1  0.09  0.0  0.24  1.0
  Sn  Sn1  1  0.02  0.0  0.12  1.0
  Sn  Sn2  1  0.93  0.0  0.69  1.0
  Sn  Sn3  1  0.03  0.0  0.22  1.0
  Sn  Sn4  1  0.53  0.0  0.38  1.0
  Sn  Sn5  1  0.87  0.0  0.59  1.0

data_NiSn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   6.24
_cell_length_c   8.14
_cell_angle_alpha   109.16
_cell_angle_beta   90.0
_cell_angle_gamma   104.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSn5
_chemical_formula_sum   'Ni1 Sn5'
_cell_volume   148.64
_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  1  0.0  0.91  0.76  1.0
  Sn  Sn1  1  0.0  0.07  0.31  1.0
  Sn  Sn2  1  0.0  0.13  0.41  1.0
  Sn  Sn3  1  0.0  0.47  0.62  1.0
  Sn  Sn4  1  0.0  0.97  0.78  1.0
  Sn  Sn5  1  0.0  0.98  0.88  1.0

Ni Sn Sn Sn Sn Sn