# generated using pymatgen
data_BaYMgMnCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09969589
_cell_length_b   3.89434869
_cell_length_c   10.04292885
_cell_angle_alpha   90.00993805
_cell_angle_beta   75.23766844
_cell_angle_gamma   89.99716821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYMgMnCuO5
_chemical_formula_sum   'Ba1 Y1 Mg1 Mn1 Cu1 O5'
_cell_volume   155.04913256
_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  0.16800494  0.99977929  0.10156510  1.0
  Y  Y1  1  0.06980900  0.00011360  0.47010702  1.0
  Mg  Mg2  1  0.83861511  0.49962631  0.85177839  1.0
  Mn  Mn3  1  0.46572942  0.50030746  0.64795546  1.0
  Cu  Cu4  1  0.58642115  0.49982586  0.28138603  1.0
  O  O5  1  0.96383731  0.50022757  0.65124725  1.0
  O  O6  1  0.50436886  0.00021145  0.57237684  1.0
  O  O7  1  0.03448127  0.50009191  0.35426412  1.0
  O  O8  1  0.55349203  1.00004530  0.25914876  1.0
  O  O9  1  0.31523492  0.49976725  0.88975503  1.0