data_Li2CaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaW
_chemical_formula_sum   'Li2 Ca1 W1'
_cell_volume   80.72
_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  0.87  0.0  0.94  1.0
  Li  Li2  1  0.0  0.0  0.39  1.0
  Ca  Ca0  1  0.0  0.0  0.77  1.0
  W  W3  1  0.87  0.0  0.21  1.0

data_Li2CaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaW
_chemical_formula_sum   'Li2 Ca1 W1'
_cell_volume   80.72
_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  0.39  1.0
  Li  Li1  1  0.87  0.0  0.94  1.0
  Ca  Ca2  1  0.0  0.0  0.77  1.0
  W  W3  1  0.87  0.0  0.21  1.0

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