data_TaMoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   6.98
_cell_length_c   2.8
_cell_angle_alpha   82.41
_cell_angle_beta   74.82
_cell_angle_gamma   22.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoW
_chemical_formula_sum   'Ta1 Mo1 W1'
_cell_volume   49.95
_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  Ta1  1  0.61  0.29  0.05  1.0
  Mo  Mo0  1  0.61  0.29  0.55  1.0
  W  W2  1  0.61  0.29  0.56  1.0

data_TaMoW
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   3.21
_cell_length_b   13.58
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   125.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TaMoW
_chemical_formula_sum   'Ta2 Mo2 W2'
_cell_volume   99.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.5  0.5  1.0
  Mo  Mo1  2  0.0  0.5  0.0  1.0
  W  W2  2  0.0  0.5  0.0  1.0

Ta Mo W