# generated using pymatgen
data_Ba3Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21105874
_cell_length_b   11.37018050
_cell_length_c   4.21105874
_cell_angle_alpha   79.32837639
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.67162361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Zr2O7
_chemical_formula_sum   'Ba3 Zr2 O7'
_cell_volume   194.59065783
_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
  Ba  Ba0  1  0.00000000  0.00000000  -0.00000000  1.0
  Ba  Ba1  1  0.81410613  0.62821226  0.18589387  1.0
  Ba  Ba2  1  0.18589387  0.37178774  0.81410613  1.0
  Zr  Zr3  1  0.59704480  0.19408960  0.40295520  1.0
  Zr  Zr4  1  0.40295520  0.80591040  0.59704480  1.0
  O  O5  1  0.09608801  0.19217502  0.40391199  1.0
  O  O6  1  0.50000000  0.00000000  0.50000000  1.0
  O  O7  1  0.69247587  0.38495074  0.30752413  1.0
  O  O8  1  0.40391199  0.80782498  0.09608801  1.0
  O  O9  1  0.59608801  0.19217502  0.90391199  1.0
  O  O10  1  0.30752413  0.61504926  0.69247587  1.0
  O  O11  1  0.90391199  0.80782498  0.59608801  1.0