data_KTaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   7.28
_cell_angle_alpha   93.68
_cell_angle_beta   93.68
_cell_angle_gamma   36.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaW2
_chemical_formula_sum   'K1 Ta1 W2'
_cell_volume   109.39
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.5  0.0  0.63  1.0
  W  W2  1  0.08  0.0  0.72  1.0
  W  W3  1  0.93  0.0  0.54  1.0

data_KTaW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.01
_cell_length_c   7.28
_cell_angle_alpha   93.68
_cell_angle_beta   90.0
_cell_angle_gamma   108.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaW2
_chemical_formula_sum   'K1 Ta1 W2'
_cell_volume   109.39
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.5  0.37  1.0
  W  W2  1  0.0  0.07  0.46  1.0
  W  W3  1  0.0  0.92  0.28  1.0

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