# generated using pymatgen
data_BaEr2CuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67193300
_cell_length_b   7.18346000
_cell_length_c   12.18342200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaEr2CuO5
_chemical_formula_sum   'Ba4 Er8 Cu4 O20'
_cell_volume   496.40261095
_cell_formula_units_Z   4
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  0.25000000  0.93305700  0.90353700  1.0
  Ba  Ba1  1  0.75000000  0.06694300  0.09646300  1.0
  Ba  Ba2  1  0.75000000  0.43305700  0.59646300  1.0
  Ba  Ba3  1  0.25000000  0.56694300  0.40353700  1.0
  Er  Er4  1  0.25000000  0.11130600  0.28674500  1.0
  Er  Er5  1  0.75000000  0.88869400  0.71325500  1.0
  Er  Er6  1  0.75000000  0.61130600  0.21325500  1.0
  Er  Er7  1  0.25000000  0.38869400  0.78674500  1.0
  Er  Er8  1  0.25000000  0.39590500  0.07369800  1.0
  Er  Er9  1  0.75000000  0.60409500  0.92630200  1.0
  Er  Er10  1  0.75000000  0.89590500  0.42630200  1.0
  Er  Er11  1  0.25000000  0.10409500  0.57369800  1.0
  Cu  Cu12  1  0.25000000  0.71997700  0.66090000  1.0
  Cu  Cu13  1  0.75000000  0.28002300  0.33910000  1.0
  Cu  Cu14  1  0.75000000  0.21997700  0.83910000  1.0
  Cu  Cu15  1  0.25000000  0.78002300  0.16090000  1.0
  O  O16  1  0.99589300  0.15895700  0.43146300  1.0
  O  O17  1  0.49589300  0.84104300  0.56853700  1.0
  O  O18  1  0.00410700  0.65895700  0.06853700  1.0
  O  O19  1  0.50410700  0.34104300  0.93146300  1.0
  O  O20  1  0.00410700  0.84104300  0.56853700  1.0
  O  O21  1  0.50410700  0.15895700  0.43146300  1.0
  O  O22  1  0.99589300  0.34104300  0.93146300  1.0
  O  O23  1  0.49589300  0.65895700  0.06853700  1.0
  O  O24  1  0.50288700  0.35466000  0.22775300  1.0
  O  O25  1  0.00288700  0.64534000  0.77224700  1.0
  O  O26  1  0.49711300  0.85466000  0.27224700  1.0
  O  O27  1  0.99711300  0.14534000  0.72775300  1.0
  O  O28  1  0.49711300  0.64534000  0.77224700  1.0
  O  O29  1  0.99711300  0.35466000  0.22775300  1.0
  O  O30  1  0.50288700  0.14534000  0.72775300  1.0
  O  O31  1  0.00288700  0.85466000  0.27224700  1.0
  O  O32  1  0.25000000  0.08477700  0.10022700  1.0
  O  O33  1  0.75000000  0.91522300  0.89977300  1.0
  O  O34  1  0.75000000  0.58477700  0.39977300  1.0
  O  O35  1  0.25000000  0.41522300  0.60022700  1.0