data_Zr6P2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   8.43
_cell_angle_alpha   91.79
_cell_angle_beta   91.79
_cell_angle_gamma   36.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6P2O
_chemical_formula_sum   'Zr6 P2 O1'
_cell_volume   161.75
_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
  Zr  Zr0  1  0.91  0.0  0.42  1.0
  Zr  Zr1  1  0.66  0.0  0.01  1.0
  Zr  Zr2  1  0.83  0.0  0.72  1.0
  Zr  Zr3  1  0.75  0.0  0.71  1.0
  Zr  Zr4  1  0.1  0.0  0.14  1.0
  Zr  Zr5  1  0.47  0.0  0.28  1.0
  P  P6  1  0.61  0.0  0.12  1.0
  P  P7  1  0.97  0.0  0.31  1.0
  O  O8  1  0.0  0.0  0.0  1.0

data_Zr6P2O
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.71
_cell_length_c   8.43
_cell_angle_alpha   91.79
_cell_angle_beta   90.0
_cell_angle_gamma   108.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6P2O
_chemical_formula_sum   'Zr6 P2 O1'
_cell_volume   161.75
_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
  Zr  Zr0  1  0.0  0.09  0.58  1.0
  Zr  Zr1  1  0.0  0.17  0.28  1.0
  Zr  Zr2  1  0.0  0.25  0.29  1.0
  Zr  Zr3  1  0.0  0.34  0.99  1.0
  Zr  Zr4  1  0.0  0.53  0.72  1.0
  Zr  Zr5  1  0.0  0.9  0.86  1.0
  P  P6  1  0.0  0.03  0.69  1.0
  P  P7  1  0.0  0.39  0.88  1.0
  O  O8  1  0.0  0.0  0.0  1.0

Zr Zr Zr Zr Zr Zr P P O
Zr Zr Zr Zr Zr Zr P P O 0 7 o o o 1 6 o o o 2 3 o o o 4 8 o o o 4 7 - o o 5 6 o o o 