data_MnPW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   148.22
_cell_angle_beta   148.22
_cell_angle_gamma   45.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPW
_chemical_formula_sum   'Mn1 P1 W1'
_cell_volume   37.55
_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
  Mn  Mn0  1  0.0  0.0  0.24  1.0
  P  P1  1  0.0  0.0  0.37  1.0
  W  W2  1  0.0  0.0  0.35  1.0

data_MnPW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   112.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnPW
_chemical_formula_sum   'Mn2 P2 W2'
_cell_volume   75.11
_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
  Mn  Mn0  2  0.0  0.0  0.76  1.0
  P  P1  2  0.0  0.0  0.63  1.0
  W  W2  2  0.0  0.0  0.65  1.0

Mn P W
Mn P W 0 2 o o o 0 1 o o o 1 2 o o o 