data_TaAg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.37
_cell_angle_alpha   96.51
_cell_angle_beta   96.51
_cell_angle_gamma   31.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2W
_chemical_formula_sum   'Ta1 Ag2 W1'
_cell_volume   68.97
_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  0.43  0.0  0.63  1.0
  Ag  Ag0  1  0.38  0.0  0.3  1.0
  Ag  Ag1  1  0.9  0.0  0.05  1.0
  W  W3  1  0.99  0.0  0.36  1.0

data_TaAg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.95
_cell_length_c   5.37
_cell_angle_alpha   96.51
_cell_angle_beta   90.0
_cell_angle_gamma   105.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2W
_chemical_formula_sum   'Ta1 Ag2 W1'
_cell_volume   68.97
_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  Ta0  1  0.0  0.57  0.37  1.0
  Ag  Ag1  1  0.0  0.1  0.95  1.0
  Ag  Ag2  1  0.0  0.62  0.7  1.0
  W  W3  1  0.0  0.01  0.64  1.0

Ta Ag Ag W
Ta Ag Ag W 0 1 o o o 1 3 - o o 2 3 o o o 