data_LiOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   131.65
_cell_angle_beta   131.65
_cell_angle_gamma   70.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOsW2
_chemical_formula_sum   'Li1 Os1 W2'
_cell_volume   59.15
_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
  Os  Os1  1  0.95  0.0  0.94  1.0
  W  W2  1  0.0  0.0  0.88  1.0
  W  W3  1  0.0  0.95  0.94  1.0

data_LiOsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   4.76
_cell_angle_alpha   114.18
_cell_angle_beta   114.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOsW2
_chemical_formula_sum   'Li1 Os1 W2'
_cell_volume   59.15
_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
  Os  Os1  1  0.06  0.0  0.01  1.0
  W  W2  1  0.01  0.95  0.01  1.0
  W  W3  1  0.12  0.0  0.12  1.0

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