data_TaNi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.3
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2W
_chemical_formula_sum   'Ta1 Ni2 W1'
_cell_volume   56.15
_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
  Ta  Ta2  1  0.0  0.0  0.68  1.0
  Ni  Ni0  1  0.0  0.0  0.03  1.0
  Ni  Ni1  1  0.51  0.65  0.34  1.0
  W  W3  1  0.51  0.65  0.4  1.0

data_TaNi2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.3
_cell_length_b   3.02
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaNi2W
_chemical_formula_sum   'Ta1 Ni2 W1'
_cell_volume   56.15
_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
  Ta  Ta0  1  0.0  0.0  0.68  1.0
  Ni  Ni1  1  0.0  0.0  0.03  1.0
  Ni  Ni2  1  0.65  0.5  0.34  1.0
  W  W3  1  0.65  0.5  0.4  1.0

Ta Ni Ni W