# generated using pymatgen
data_BaCuTe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74940665
_cell_length_b   8.74940665
_cell_length_c   5.56078000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.70540137
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuTe2O7
_chemical_formula_sum   'Ba2 Cu2 Te4 O14'
_cell_volume   322.70364067
_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
  Ba  Ba0  1  0.79773100  0.21677500  0.75000000  1.0
  Ba  Ba1  1  0.21677500  0.79773100  0.25000000  1.0
  Cu  Cu2  1  0.36678300  0.62884000  0.75000000  1.0
  Cu  Cu3  1  0.62884000  0.36678300  0.25000000  1.0
  Te  Te4  1  0.17070500  0.32548600  0.25000000  1.0
  Te  Te5  1  0.67995000  0.82212500  0.25000000  1.0
  Te  Te6  1  0.82212500  0.67995000  0.75000000  1.0
  Te  Te7  1  0.32548600  0.17070500  0.75000000  1.0
  O  O8  1  0.50101500  0.46343600  0.75000000  1.0
  O  O9  1  0.16181500  0.47529500  0.00231000  1.0
  O  O10  1  0.16181500  0.47529500  0.49769000  1.0
  O  O11  1  0.46343600  0.50101500  0.25000000  1.0
  O  O12  1  0.13788400  0.13788400  0.50000000  1.0
  O  O13  1  0.47529500  0.16181500  0.99769000  1.0
  O  O14  1  0.55128300  0.84084200  0.50836700  1.0
  O  O15  1  0.55128300  0.84084200  0.99163300  1.0
  O  O16  1  0.87263400  0.13968300  0.25000000  1.0
  O  O17  1  0.84084200  0.55128300  0.49163300  1.0
  O  O18  1  0.84084200  0.55128300  0.00836700  1.0
  O  O19  1  0.47529500  0.16181500  0.50231000  1.0
  O  O20  1  0.13968300  0.87263400  0.75000000  1.0
  O  O21  1  0.13788400  0.13788400  0.00000000  1.0