data_TaVW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   144.91
_cell_angle_beta   129.65
_cell_angle_gamma   62.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVW2
_chemical_formula_sum   'Ta1 V1 W2'
_cell_volume   63.88
_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  0.24  0.0  1.0
  V  V1  1  0.0  0.0  0.78  1.0
  W  W2  1  0.0  0.24  0.49  1.0
  W  W3  1  0.0  0.0  0.2  1.0

data_TaVW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.48
_cell_length_c   5.26
_cell_angle_alpha   115.18
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVW2
_chemical_formula_sum   'Ta1 V1 W2'
_cell_volume   63.88
_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  1.0  0.24  0.24  1.0
  V  V1  1  0.22  0.22  0.22  1.0
  W  W2  1  0.51  0.75  0.75  1.0
  W  W3  1  0.8  0.8  0.8  1.0

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