data_K2NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   145.6
_cell_angle_beta   145.6
_cell_angle_gamma   49.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NiW
_chemical_formula_sum   'K2 Ni1 W1'
_cell_volume   85.14
_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  0.91  0.93  1.0
  K  K1  1  0.91  0.0  0.93  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.86  1.0

data_K2NiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   114.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2NiW
_chemical_formula_sum   'K4 Ni2 W2'
_cell_volume   170.28
_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  0.45  0.02  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.36  0.5  0.86  1.0

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