data_K2SiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.12
_cell_length_b   12.12
_cell_length_c   12.12
_cell_angle_alpha   13.9
_cell_angle_beta   13.9
_cell_angle_gamma   13.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiW
_chemical_formula_sum   'K2 Si1 W1'
_cell_volume   89.5
_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  0.13  1.0
  K  K1  1  0.0  0.0  0.88  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.01  1.0

data_K2SiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   2.93
_cell_length_c   12.12
_cell_angle_alpha   90.0
_cell_angle_beta   98.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2SiW
_chemical_formula_sum   'K4 Si2 W2'
_cell_volume   179.01
_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  2  0.0  0.0  0.12  1.0
  K  K1  2  0.0  0.0  0.87  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.99  1.0

K K Si W