data_LiZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   57.56
_cell_angle_beta   57.56
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrO3
_chemical_formula_sum   'Li2 Zr2 O6'
_cell_volume   120.09
_cell_formula_units_Z   2
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  0.06  1.0
  Li  Li1  1  0.0  0.0  0.02  1.0
  Zr  Zr8  1  0.0  0.0  0.05  1.0
  Zr  Zr9  1  0.0  0.0  0.03  1.0
  O  O2  1  0.17  0.73  0.91  1.0
  O  O3  1  0.92  0.41  0.91  1.0
  O  O4  1  0.92  0.85  0.91  1.0
  O  O5  1  0.08  0.15  0.16  1.0
  O  O6  1  0.08  0.59  0.16  1.0
  O  O7  1  0.83  0.27  0.16  1.0

data_LiZrO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.65
_cell_angle_alpha   61.22
_cell_angle_beta   61.22
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiZrO3
_chemical_formula_sum   'Li2 Zr2 O6'
_cell_volume   120.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.48  0.02  1.0
  Zr  Zr1  2  0.0  0.49  0.01  1.0
  O  O2  2  0.15  0.63  0.65  1.0
  O  O3  2  0.27  0.63  0.77  1.0
  O  O4  2  0.41  0.37  0.8  1.0

Li Li Zr Zr O O O O O O