data_KMnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24
_cell_length_b   8.04
_cell_length_c   2.86
_cell_angle_alpha   83.94
_cell_angle_beta   75.86
_cell_angle_gamma   20.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnW
_chemical_formula_sum   'K1 Mn1 W1'
_cell_volume   58.94
_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  0.56  0.4  0.68  1.0
  Mn  Mn1  1  0.56  0.4  0.87  1.0
  W  W2  1  0.56  0.4  0.99  1.0

data_KMnW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.12
_cell_length_b   15.77
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   122.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMnW
_chemical_formula_sum   'K2 Mn2 W2'
_cell_volume   117.87
_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  0.4  0.0  0.77  1.0
  Mn  Mn1  2  0.4  0.0  0.58  1.0
  W  W2  2  0.4  0.0  0.45  1.0

K Mn W
K Mn W 0 1 o o o 1 2 o o o 