data_LiPtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   150.22
_cell_angle_beta   150.22
_cell_angle_gamma   42.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtW
_chemical_formula_sum   'Li1 Pt1 W1'
_cell_volume   42.39
_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  0.26  1.0
  Pt  Pt1  1  0.0  0.0  0.56  1.0
  W  W2  1  0.0  0.0  0.91  1.0

data_LiPtW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   111.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiPtW
_chemical_formula_sum   'Li2 Pt2 W2'
_cell_volume   84.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.26  0.0  0.26  1.0
  Pt  Pt1  2  0.06  0.5  0.56  1.0
  W  W2  2  0.41  0.5  0.91  1.0

Li Pt W
Li Pt W 0 2 o o - 0 1 o o o 1 2 o o o 