data_LiMn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2W
_chemical_formula_sum   'Li1 Mn2 W1'
_cell_volume   53.4
_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  0.0  0.0  1.0
  Mn  Mn1  1  0.49  0.0  0.17  1.0
  Mn  Mn2  1  0.49  0.0  0.24  1.0
  W  W3  1  0.0  0.0  0.21  1.0

data_LiMn2W
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.6
_cell_length_b   8.41
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   LiMn2W
_chemical_formula_sum   'Li1 Mn2 W1'
_cell_volume   53.4
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.0  1.0
  Mn  Mn1  1  0.5  0.76  0.0  1.0
  Mn  Mn2  1  0.5  0.83  0.0  1.0
  W  W3  1  0.0  0.79  0.0  1.0

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