# generated using pymatgen
data_BaYMgCrCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98639875
_cell_length_b   3.98648509
_cell_length_c   9.80159597
_cell_angle_alpha   90.02379333
_cell_angle_beta   90.06944791
_cell_angle_gamma   89.99486152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYMgCrCuO5
_chemical_formula_sum   'Ba1 Y1 Mg1 Cr1 Cu1 O5'
_cell_volume   155.76408231
_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  0.99970600  0.99975100  0.03362000  1.0
  Y  Y1  1  0.00031200  0.00018800  0.39268000  1.0
  Mg  Mg2  1  0.99990300  0.00008600  0.69600300  1.0
  Cr  Cr3  1  0.50002800  0.50006700  0.69609500  1.0
  Cu  Cu4  1  0.50039000  0.49981400  0.25872900  1.0
  O  O5  1  0.99987100  0.49998900  0.64694400  1.0
  O  O6  1  0.49983300  0.00001000  0.64693800  1.0
  O  O7  1  0.99985300  0.50003800  0.29026800  1.0
  O  O8  1  0.50011500  0.99992400  0.29025800  1.0
  O  O9  1  0.49998200  0.50012700  0.96138300  1.0