data_LiMn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   143.3
_cell_angle_beta   127.41
_cell_angle_gamma   65.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2W
_chemical_formula_sum   'Li1 Mn2 W1'
_cell_volume   49.15
_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  0.0  0.09  0.93  1.0
  Mn  Mn2  1  0.49  0.0  0.03  1.0
  W  W3  1  0.0  0.0  0.96  1.0

data_LiMn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.18
_cell_length_c   4.72
_cell_angle_alpha   116.3
_cell_angle_beta   108.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2W
_chemical_formula_sum   'Li1 Mn2 W1'
_cell_volume   49.15
_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  0.0  0.03  0.54  1.0
  Mn  Mn2  1  0.91  0.84  0.84  1.0
  W  W3  1  0.0  0.96  0.96  1.0

Li Mn Mn W