data_TaW5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   6.41
_cell_angle_alpha   107.67
_cell_angle_beta   107.67
_cell_angle_gamma   35.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaW5
_chemical_formula_sum   'Ta1 W5'
_cell_volume   98.56
_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  0.0  0.0  1.0
  W  W1  1  0.07  0.0  0.06  1.0
  W  W2  1  0.0  0.0  0.04  1.0
  W  W3  1  0.98  0.0  0.04  1.0
  W  W4  1  0.09  0.0  0.04  1.0
  W  W5  1  0.02  0.0  0.02  1.0

data_TaW5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.31
_cell_length_c   6.41
_cell_angle_alpha   107.67
_cell_angle_beta   90.0
_cell_angle_gamma   107.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaW5
_chemical_formula_sum   'Ta1 W5'
_cell_volume   98.56
_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  0.0  0.0  1.0
  W  W1  1  0.0  0.02  0.96  1.0
  W  W2  1  0.0  0.91  0.96  1.0
  W  W3  1  0.0  0.93  0.94  1.0
  W  W4  1  0.0  0.98  0.98  1.0
  W  W5  1  0.0  1.0  0.96  1.0

Ta W W W W W