data_KMnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   7.09
_cell_angle_alpha   96.05
_cell_angle_beta   96.05
_cell_angle_gamma   36.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnW2
_chemical_formula_sum   'K1 Mn1 W2'
_cell_volume   97.0
_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  0.12  0.0  0.49  1.0
  Mn  Mn1  1  0.57  0.0  0.74  1.0
  W  W2  1  0.05  0.0  0.14  1.0
  W  W3  1  0.79  0.0  0.2  1.0

data_KMnW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.81
_cell_length_c   7.09
_cell_angle_alpha   96.05
_cell_angle_beta   90.0
_cell_angle_gamma   108.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnW2
_chemical_formula_sum   'K1 Mn1 W2'
_cell_volume   97.0
_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  0.88  0.51  1.0
  Mn  Mn1  1  0.0  0.43  0.26  1.0
  W  W2  1  0.0  0.21  0.8  1.0
  W  W3  1  0.0  0.95  0.86  1.0

K Mn W W