data_KCoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.4
_cell_length_b   8.24
_cell_length_c   3.02
_cell_angle_alpha   82.59
_cell_angle_beta   76.54
_cell_angle_gamma   20.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoW
_chemical_formula_sum   'K1 Co1 W1'
_cell_volume   69.88
_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  K1  1  0.79  0.43  0.72  1.0
  Co  Co0  1  0.79  0.43  0.08  1.0
  W  W2  1  0.79  0.43  0.36  1.0

data_KCoW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.58
_cell_length_b   16.08
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   126.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCoW
_chemical_formula_sum   'K2 Co2 W2'
_cell_volume   139.76
_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  0.29  0.5  0.51  1.0
  Co  Co1  2  0.29  0.5  0.87  1.0
  W  W2  2  0.29  0.5  0.15  1.0

K Co W
K Co W 0 2 o o o 0 1 o o + 1 2 o o o 