data_MnW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   144.59
_cell_angle_beta   129.05
_cell_angle_gamma   63.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnW3
_chemical_formula_sum   'Mn1 W3'
_cell_volume   60.03
_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  0.0  1.0
  W  W1  1  0.56  0.0  0.18  1.0
  W  W2  1  0.0  0.0  0.36  1.0
  W  W3  1  0.0  0.21  0.18  1.0

data_MnW3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.41
_cell_length_c   5.13
_cell_angle_alpha   115.48
_cell_angle_beta   107.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnW3
_chemical_formula_sum   'Mn1 W3'
_cell_volume   60.03
_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  0.0  1.0
  W  W1  1  0.0  0.18  0.62  1.0
  W  W2  1  0.0  0.36  0.36  1.0
  W  W3  1  0.79  0.97  0.97  1.0

Mn W W W
Mn W W W 0 3 o o o 0 2 o o o 1 2 + o o 2 3 o o o 