data_Ni3W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3W5
_chemical_formula_sum   'Ni3 W5'
_cell_volume   114.19
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.79  0.0  0.89  1.0
  Ni  Ni2  1  0.86  0.0  0.89  1.0
  W  W3  1  0.83  0.0  0.0  1.0
  W  W4  1  0.91  0.03  0.0  1.0
  W  W5  1  0.91  0.97  0.0  1.0
  W  W6  1  0.83  0.06  0.89  1.0
  W  W7  1  0.83  0.94  0.89  1.0

data_Ni3W5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.79
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ni3W5
_chemical_formula_sum   'Ni3 W5'
_cell_volume   114.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Ni  Ni1  1  0.89  0.0  0.79  1.0
  Ni  Ni2  1  0.89  0.0  0.86  1.0
  W  W3  2  -0.0  0.03  0.91  1.0
  W  W4  2  0.89  0.06  0.83  1.0
  W  W5  1  -0.0  0.0  0.83  1.0

Ni Ni Ni W W W W W