# generated using pymatgen
data_BaYMgFeCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92132200
_cell_length_b   3.92132200
_cell_length_c   9.49186700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYMgFeCuO5
_chemical_formula_sum   'Ba1 Y1 Mg1 Fe1 Cu1 O5'
_cell_volume   145.95421992
_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  0.04487600  1.0
  Y  Y1  1  0.00000000  0.00000000  0.41229300  1.0
  Mg  Mg2  1  0.00000000  0.00000000  0.69617800  1.0
  Fe  Fe3  1  0.49999900  0.49999900  0.73210600  1.0
  Cu  Cu4  1  0.49999900  0.49999900  0.27415000  1.0
  O  O5  1  0.00000000  0.49999900  0.62574900  1.0
  O  O6  1  0.49999900  0.00000000  0.62574900  1.0
  O  O7  1  0.00000000  0.49999900  0.28499500  1.0
  O  O8  1  0.49999900  0.00000000  0.28499500  1.0
  O  O9  1  0.49999900  0.49999900  0.94016100  1.0