data_LiCo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   124.42
_cell_angle_beta   116.56
_cell_angle_gamma   89.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2W
_chemical_formula_sum   'Li1 Co2 W1'
_cell_volume   48.15
_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  Li2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.91  0.0  0.38  1.0
  Co  Co1  1  0.0  0.16  0.54  1.0
  W  W3  1  0.0  0.0  0.92  1.0

data_LiCo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   63.44
_cell_angle_beta   62.21
_cell_angle_gamma   62.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2W
_chemical_formula_sum   'Li1 Co2 W1'
_cell_volume   48.15
_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
  Co  Co1  1  0.46  0.91  0.62  1.0
  Co  Co2  1  0.54  0.0  0.61  1.0
  W  W3  1  0.92  0.0  0.08  1.0

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