# generated using pymatgen
data_Ba2ZrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20354290
_cell_length_b   4.20354347
_cell_length_c   7.40138631
_cell_angle_alpha   106.49729563
_cell_angle_beta   106.49729275
_cell_angle_gamma   89.99998167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrO4
_chemical_formula_sum   'Ba2 Zr1 O4'
_cell_volume   119.77140138
_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  0.64716992  0.64716992  0.29433984  1.0
  Ba  Ba1  1  0.35283008  0.35283008  0.70566016  1.0
  Zr  Zr2  1  -0.00000000  -0.00000000  -0.00000000  1.0
  O  O3  1  0.84361869  0.84361869  0.68723837  1.0
  O  O4  1  0.15638131  0.15638131  0.31276163  1.0
  O  O5  1  -0.00000000  0.50000000  -0.00000000  1.0
  O  O6  1  0.50000000  -0.00000000  -0.00000000  1.0