# generated using pymatgen
data_Zr9Ta(ReO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59798117
_cell_length_b   8.59798113
_cell_length_c   8.55271064
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr9Ta(ReO)3
_chemical_formula_sum   'Zr18 Ta2 Re6 O6'
_cell_volume   547.55455763
_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
  Zr  Zr0  1  0.45367531  0.90734860  0.25000000  1.0
  Zr  Zr1  1  0.54632469  0.09265140  0.75000000  1.0
  Zr  Zr2  1  0.09265140  0.54632469  0.25000000  1.0
  Zr  Zr3  1  0.90734860  0.45367531  0.75000000  1.0
  Zr  Zr4  1  0.45367414  0.54632586  0.25000000  1.0
  Zr  Zr5  1  0.54632586  0.45367414  0.75000000  1.0
  Zr  Zr6  1  0.20370841  0.40741572  0.56204151  1.0
  Zr  Zr7  1  0.79629159  0.59258428  0.43795849  1.0
  Zr  Zr8  1  0.59258428  0.79629159  0.56204151  1.0
  Zr  Zr9  1  0.79629159  0.59258428  0.06204151  1.0
  Zr  Zr10  1  0.40741572  0.20370841  0.43795849  1.0
  Zr  Zr11  1  0.20370841  0.40741572  0.93795849  1.0
  Zr  Zr12  1  0.20370802  0.79629198  0.56204167  1.0
  Zr  Zr13  1  0.40741572  0.20370841  0.06204151  1.0
  Zr  Zr14  1  0.79629198  0.20370802  0.43795833  1.0
  Zr  Zr15  1  0.59258428  0.79629159  0.93795849  1.0
  Zr  Zr16  1  0.79629198  0.20370802  0.06204167  1.0
  Zr  Zr17  1  0.20370802  0.79629198  0.93795833  1.0
  Ta  Ta18  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta19  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re20  1  0.11082871  0.22165337  0.25000000  1.0
  Re  Re21  1  0.88917129  0.77834663  0.75000000  1.0
  Re  Re22  1  0.77834663  0.88917129  0.25000000  1.0
  Re  Re23  1  0.22165337  0.11082871  0.75000000  1.0
  Re  Re24  1  0.11082492  0.88917508  0.25000000  1.0
  Re  Re25  1  0.88917508  0.11082492  0.75000000  1.0
  O  O26  1  0.50000000  0.00000000  0.00000000  1.0
  O  O27  1  0.00000000  0.50000000  0.00000000  1.0
  O  O28  1  0.50000000  0.00000000  0.50000000  1.0
  O  O29  1  0.50000000  0.50000000  0.00000000  1.0
  O  O30  1  0.00000000  0.50000000  0.50000000  1.0
  O  O31  1  0.50000000  0.50000000  0.50000000  1.0