data_Mn6BiPO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   6.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn6BiPO12
_chemical_formula_sum   'Mn6 Bi1 P1 O12'
_cell_volume   238.26
_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  0.38  0.96  0.38  1.0
  Mn  Mn1  1  0.38  0.38  0.96  1.0
  Mn  Mn2  1  0.96  0.38  0.38  1.0
  Mn  Mn3  1  0.38  0.8  0.38  1.0
  Mn  Mn4  1  0.38  0.38  0.8  1.0
  Mn  Mn5  1  0.8  0.38  0.38  1.0
  Bi  Bi6  1  0.92  0.92  0.92  1.0
  P  P7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.32  0.32  0.32  1.0
  O  O9  1  0.32  0.52  0.52  1.0
  O  O10  1  0.52  0.52  0.32  1.0
  O  O11  1  0.52  0.32  0.52  1.0
  O  O12  1  0.49  0.49  0.49  1.0
  O  O13  1  0.49  0.35  0.35  1.0
  O  O14  1  0.35  0.35  0.49  1.0
  O  O15  1  0.35  0.49  0.35  1.0
  O  O16  1  0.95  0.95  0.95  1.0
  O  O17  1  0.95  0.81  0.81  1.0
  O  O18  1  0.81  0.81  0.95  1.0
  O  O19  1  0.81  0.95  0.81  1.0

data_Mn6BiPO12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   17.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mn6BiPO12
_chemical_formula_sum   'Mn18 Bi3 P3 O36'
_cell_volume   714.78
_cell_formula_units_Z   3
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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  0.05  0.53  0.15  1.0
  Mn  Mn1  9  0.19  0.39  0.43  1.0
  Bi  Bi2  3  0.0  0.0  0.08  1.0
  P  P3  3  0.0  0.0  -0.0  1.0
  O  O4  9  0.04  0.09  0.14  1.0
  O  O5  9  0.04  0.09  0.6  1.0
  O  O6  9  0.13  0.07  0.55  1.0
  O  O7  3  0.0  0.0  0.05  1.0
  O  O8  3  0.0  0.0  0.51  1.0
  O  O9  3  0.0  0.0  0.68  1.0

Mn Mn Mn Mn Mn Mn Bi P O O O O O O O O O O O O