data_PmZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   56.19
_cell_angle_beta   56.19
_cell_angle_gamma   56.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmZrO3
_chemical_formula_sum   'Pm2 Zr2 O6'
_cell_volume   143.91
_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
  Pm  Pm6  1  0.0  0.0  0.56  1.0
  Pm  Pm7  1  0.0  0.0  0.71  1.0
  Zr  Zr8  1  0.0  0.0  0.32  1.0
  Zr  Zr9  1  0.0  0.0  0.95  1.0
  O  O0  1  0.82  0.2  0.42  1.0
  O  O1  1  0.14  0.88  0.42  1.0
  O  O2  1  0.03  0.92  0.42  1.0
  O  O3  1  0.97  0.08  0.86  1.0
  O  O4  1  0.86  0.12  0.86  1.0
  O  O5  1  0.18  0.8  0.86  1.0

data_PmZrO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   6.07
_cell_angle_alpha   61.91
_cell_angle_beta   61.91
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PmZrO3
_chemical_formula_sum   'Pm2 Zr2 O6'
_cell_volume   143.91
_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
  Pm  Pm0  2  0.0  0.08  0.42  1.0
  Zr  Zr1  2  0.0  0.31  0.19  1.0
  O  O2  2  0.08  0.22  0.23  1.0
  O  O3  2  0.12  0.22  0.3  1.0
  O  O4  2  0.2  0.78  0.69  1.0

Pm Pm Zr Zr O O O O O O
Pm Pm Zr Zr O O O O O O 0 6 o - o 0 5 o - o 0 1 o o o 0 4 - o o 1 8 - o o 1 7 - o o 1 9 o - o 2 6 o - o 2 4 - o o 3 7 - o o 3 9 o - o 4 6 + - o 5 6 o o o 7 8 o o o 7 9 + - o 