data_MnW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.59
_cell_length_c   7.59
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnW4
_chemical_formula_sum   'Mn4 W16'
_cell_volume   335.97
_cell_formula_units_Z   4
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  0.98  0.02  0.02  1.0
  Mn  Mn1  1  0.36  0.36  0.36  1.0
  Mn  Mn2  1  0.02  0.02  0.98  1.0
  Mn  Mn3  1  0.02  0.98  0.02  1.0
  W  W4  1  0.35  0.65  0.65  1.0
  W  W5  1  0.73  0.73  0.73  1.0
  W  W6  1  0.65  0.65  0.35  1.0
  W  W7  1  0.65  0.35  0.65  1.0
  W  W8  1  0.0  0.0  0.83  1.0
  W  W9  1  0.0  0.0  0.93  1.0
  W  W10  1  0.0  0.83  0.0  1.0
  W  W11  1  0.0  0.93  0.0  1.0
  W  W12  1  0.93  0.0  0.0  1.0
  W  W13  1  0.83  0.0  0.0  1.0
  W  W14  1  0.0  0.38  0.19  1.0
  W  W15  1  0.38  0.0  0.19  1.0
  W  W16  1  0.38  0.19  0.0  1.0
  W  W17  1  0.0  0.19  0.38  1.0
  W  W18  1  0.19  0.38  0.0  1.0
  W  W19  1  0.19  0.0  0.38  1.0

data_MnW4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.39
_cell_length_b   12.39
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnW4
_chemical_formula_sum   'Mn12 W48'
_cell_volume   1007.91
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.01  0.02  0.01  1.0
  Mn  Mn1  3  0.0  0.0  0.36  1.0
  W  W2  18  0.14  0.48  0.86  1.0
  W  W3  9  0.02  0.05  0.98  1.0
  W  W4  9  0.06  0.11  0.94  1.0
  W  W5  9  0.1  0.2  0.55  1.0
  W  W6  3  0.0  0.0  0.73  1.0

Mn Mn Mn Mn W W W W W W W W W W W W W W W W