data_K2SiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   5.99
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiW
_chemical_formula_sum   'K2 Si1 W1'
_cell_volume   86.47
_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  0.06  1.0  0.22  1.0
  K  K1  1  0.98  1.0  0.79  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.02  0.0  0.5  1.0

data_K2SiW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.88
_cell_length_b   5.99
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2SiW
_chemical_formula_sum   'K2 Si1 W1'
_cell_volume   86.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.06  0.0  0.22  1.0
  K  K1  1  0.98  0.0  0.79  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.02  0.0  0.5  1.0

K K Si W
K K Si W 0 2 o + o 0 3 o + o 1 2 + + + 1 3 + + o 