data_LiCrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64
_cell_length_b   9.64
_cell_length_c   9.64
_cell_angle_alpha   16.16
_cell_angle_beta   16.16
_cell_angle_gamma   16.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrW2
_chemical_formula_sum   'Li1 Cr1 W2'
_cell_volume   60.53
_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  Li1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.27  1.0
  W  W2  1  0.0  0.0  0.52  1.0
  W  W3  1  0.0  0.0  0.02  1.0

data_LiCrW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   2.71
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCrW2
_chemical_formula_sum   'Li2 Cr2 W4'
_cell_volume   121.05
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.73  1.0
  W  W2  2  0.0  0.0  0.48  1.0
  W  W3  2  0.0  0.0  0.98  1.0

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