data_Ni2BiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.51
_cell_angle_alpha   100.13
_cell_angle_beta   100.13
_cell_angle_gamma   42.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BiW
_chemical_formula_sum   'Ni2 Bi1 W1'
_cell_volume   70.01
_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  Ni1  1  0.77  0.0  0.9  1.0
  Ni  Ni2  1  0.33  0.0  0.51  1.0
  Bi  Bi0  1  0.55  0.0  0.7  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Ni2BiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.37
_cell_length_c   5.51
_cell_angle_alpha   100.13
_cell_angle_beta   90.0
_cell_angle_gamma   111.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BiW
_chemical_formula_sum   'Ni2 Bi1 W1'
_cell_volume   70.01
_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  0.23  0.1  1.0
  Ni  Ni1  1  0.0  0.67  0.49  1.0
  Bi  Bi2  1  0.0  0.45  0.3  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Ni Ni Bi W