data_KTa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   8.01
_cell_angle_alpha   90.83
_cell_angle_beta   90.83
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2W
_chemical_formula_sum   'K1 Ta2 W1'
_cell_volume   98.55
_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  0.77  0.0  0.69  1.0
  Ta  Ta2  1  0.11  0.0  0.31  1.0
  W  W3  1  0.44  0.0  0.0  1.0

data_KTa2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.7
_cell_length_c   8.01
_cell_angle_alpha   90.83
_cell_angle_beta   90.0
_cell_angle_gamma   106.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2W
_chemical_formula_sum   'K1 Ta2 W1'
_cell_volume   98.55
_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  0.23  0.31  1.0
  Ta  Ta2  1  0.0  0.89  0.69  1.0
  W  W3  1  0.0  0.56  1.0  1.0

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