data_K2TaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   6.96
_cell_angle_alpha   147.26
_cell_angle_beta   147.26
_cell_angle_gamma   46.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaW
_chemical_formula_sum   'K2 Ta1 W1'
_cell_volume   98.16
_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  0.96  0.19  1.0
  K  K1  1  0.96  0.0  0.19  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.38  1.0

data_K2TaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   113.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2TaW
_chemical_formula_sum   'K4 Ta2 W2'
_cell_volume   196.32
_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+1/2, y+1/2, z'
  4  '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
  K  K0  4  0.48  0.52  0.77  1.0
  Ta  Ta1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.62  1.0

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