# generated using pymatgen
data_BaYMgCrCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95582818
_cell_length_b   4.02187187
_cell_length_c   10.19210279
_cell_angle_alpha   90.05293191
_cell_angle_beta   103.60627488
_cell_angle_gamma   89.99025347
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYMgCrCuO5
_chemical_formula_sum   'Ba1 Y1 Mg1 Cr1 Cu1 O5'
_cell_volume   157.60376564
_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  0.82246864  0.99973748  0.10214695  1.0
  Y  Y1  1  0.93639449  0.00028756  0.46420666  1.0
  Mg  Mg2  1  0.16893858  0.49927365  0.84299075  1.0
  Cr  Cr3  1  0.53095140  0.50057688  0.61985034  1.0
  Cu  Cu4  1  0.40793669  0.49998623  0.29880597  1.0
  O  O5  1  0.04653203  0.50040749  0.64671609  1.0
  O  O6  1  0.50731223  0.00043607  0.57460813  1.0
  O  O7  1  0.94437802  0.50001335  0.35299826  1.0
  O  O8  1  0.42436389  0.99989793  0.26594001  1.0
  O  O9  1  0.71071703  0.49937637  0.91132284  1.0