data_Li2LaZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.33
_cell_angle_alpha   114.91
_cell_angle_beta   114.91
_cell_angle_gamma   32.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaZr
_chemical_formula_sum   'Li2 La1 Zr1'
_cell_volume   92.81
_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  0.94  0.0  0.6  1.0
  Li  Li2  1  0.3  0.0  0.76  1.0
  La  La0  1  0.97  0.0  0.22  1.0
  Zr  Zr3  1  0.7  0.0  0.39  1.0

data_Li2LaZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.33
_cell_length_c   5.99
_cell_angle_alpha   114.91
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaZr
_chemical_formula_sum   'Li2 La1 Zr1'
_cell_volume   92.81
_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  0.6  0.94  1.0
  Li  Li1  1  0.0  0.76  0.3  1.0
  La  La2  1  0.0  0.22  0.97  1.0
  Zr  Zr3  1  0.0  0.39  0.7  1.0

Li Li La Zr