# generated using pymatgen
data_BaYMgFeCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97440207
_cell_length_b   4.02870876
_cell_length_c   9.87118680
_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   158.05456495
_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  0.12728311  1.0
  Y  Y1  1  0.00000000  0.00000000  0.47729877  1.0
  Mg  Mg2  1  0.50000000  0.00000000  0.82510883  1.0
  Fe  Fe3  1  0.49999900  0.49999900  0.64410411  1.0
  Cu  Cu4  1  0.49999900  0.49999900  0.30764777  1.0
  O  O5  1  0.00000000  0.49999900  0.57980165  1.0
  O  O6  1  0.49999900  0.00000000  0.62546203  1.0
  O  O7  1  0.00000000  0.49999900  0.28411293  1.0
  O  O8  1  0.49999900  0.00000000  0.32699219  1.0
  O  O9  1  0.49999900  0.49999900  0.87343962  1.0