data_LiCaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.69
_cell_length_b   10.69
_cell_length_c   10.69
_cell_angle_alpha   15.44
_cell_angle_beta   15.44
_cell_angle_gamma   15.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaW2
_chemical_formula_sum   'Li1 Ca1 W2'
_cell_volume   75.42
_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  0.17  1.0
  Ca  Ca0  1  0.0  0.0  0.71  1.0
  W  W2  1  0.0  0.0  0.06  1.0
  W  W3  1  0.0  0.0  0.58  1.0

data_LiCaW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   2.87
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   98.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCaW2
_chemical_formula_sum   'Li2 Ca2 W4'
_cell_volume   150.84
_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  0.83  1.0
  Ca  Ca1  2  0.0  0.0  0.29  1.0
  W  W2  2  0.0  0.0  0.42  1.0
  W  W3  2  0.0  0.0  0.94  1.0

Li Ca W W