# generated using pymatgen
data_Zr6CuPO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81982917
_cell_length_b   5.81982942
_cell_length_c   8.51695061
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.73232775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6CuPO2
_chemical_formula_sum   'Zr6 Cu1 P1 O2'
_cell_volume   162.42735961
_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  0.13790126  0.86210174  0.06384968  1.0
  Zr  Zr1  1  0.42935985  0.57064315  0.25000000  1.0
  Zr  Zr2  1  0.13790126  0.86210174  0.43615032  1.0
  Zr  Zr3  1  0.86606568  0.13393732  0.55062924  1.0
  Zr  Zr4  1  0.55994404  0.44005896  0.75000000  1.0
  Zr  Zr5  1  0.86606568  0.13393732  0.94937076  1.0
  Cu  Cu6  1  0.24915681  0.75084619  0.75000000  1.0
  P  P7  1  0.75280859  0.24719441  0.25000000  1.0
  O  O8  1  0.50040542  0.49959658  0.00137862  1.0
  O  O9  1  0.50040542  0.49959658  0.49862038  1.0