data_LiZrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   147.65
_cell_angle_beta   133.85
_cell_angle_gamma   57.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrW
_chemical_formula_sum   'Li1 Zr1 W1'
_cell_volume   52.98
_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  0.07  1.0
  Zr  Zr2  1  0.0  0.0  0.98  1.0
  W  W1  1  0.0  0.0  0.02  1.0

data_LiZrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.05
_cell_length_c   5.17
_cell_angle_alpha   113.07
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrW
_chemical_formula_sum   'Li1 Zr1 W1'
_cell_volume   52.98
_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  0.93  0.93  0.93  1.0
  Zr  Zr1  1  0.02  0.02  0.02  1.0
  W  W2  1  0.98  0.98  0.98  1.0

Li Zr W