data_Li3Mn3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   62.02
_cell_angle_beta   62.02
_cell_angle_gamma   62.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn3WO8
_chemical_formula_sum   'Li3 Mn3 W1 O8'
_cell_volume   168.29
_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
  Li  Li0  1  0.0  0.18  0.45  1.0
  Li  Li1  1  0.43  0.91  0.45  1.0
  Li  Li2  1  0.57  0.91  0.45  1.0
  Mn  Mn3  1  0.0  0.82  0.91  1.0
  Mn  Mn4  1  0.57  0.09  0.91  1.0
  Mn  Mn5  1  0.43  0.09  0.91  1.0
  W  W6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.0  0.0  0.81  1.0
  O  O8  1  0.0  0.97  0.04  1.0
  O  O9  1  0.24  0.01  0.04  1.0
  O  O10  1  0.0  0.0  0.92  1.0
  O  O11  1  0.76  0.01  0.04  1.0
  O  O12  1  0.0  0.03  0.69  1.0
  O  O13  1  0.76  0.99  0.69  1.0
  O  O14  1  0.24  0.99  0.69  1.0

data_Li3Mn3WO8
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   62.02
_cell_angle_beta   62.02
_cell_angle_gamma   62.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn3WO8
_chemical_formula_sum   'Li3 Mn3 W1 O8'
_cell_volume   168.29
_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
  Li  Li0  1  0.09  0.43  0.55  1.0
  Li  Li1  1  0.09  0.57  0.55  1.0
  Li  Li2  1  0.82  0.0  0.55  1.0
  Mn  Mn3  1  0.18  0.0  0.09  1.0
  Mn  Mn4  1  0.91  0.43  0.09  1.0
  Mn  Mn5  1  0.91  0.57  0.09  1.0
  W  W6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.0  0.0  0.08  1.0
  O  O8  1  0.0  0.0  0.19  1.0
  O  O9  1  0.01  0.24  0.31  1.0
  O  O10  1  0.01  0.76  0.31  1.0
  O  O11  1  0.03  0.0  0.96  1.0
  O  O12  1  0.97  0.0  0.31  1.0
  O  O13  1  0.99  0.24  0.96  1.0
  O  O14  1  0.99  0.76  0.96  1.0

Li Li Li Mn Mn Mn W O O O O O O O O
Li Li Li Mn Mn Mn W O O O O O O O O 0 12 o o o 1 2 o o o 1 14 o o o 3 7 o + o 3 10 o + o 3 11 - + + 4 5 o o o 4 11 o o + 4 13 o - o 5 9 o o + 5 13 o - o 6 8 o - o 6 10 o o - 6 11 - o o 7 12 o o o 7 10 o o o 7 11 - o + 7 14 o - o 8 11 - + o 10 11 - o + 10 14 o - o 12 13 - - o 12 14 o - o 