# generated using pymatgen
data_BaYMgTiCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84577567
_cell_length_b   4.11448590
_cell_length_c   10.31617016
_cell_angle_alpha   106.63349932
_cell_angle_beta   90.00401820
_cell_angle_gamma   89.99928405
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYMgTiCuO5
_chemical_formula_sum   'Ba1 Y1 Mg1 Ti1 Cu1 O5'
_cell_volume   156.40619938
_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  0.00000348  0.78782517  0.07837599  1.0
  Y  Y1  1  0.00002675  0.91611469  0.47523275  1.0
  Mg  Mg2  1  0.49998984  0.12698459  0.84975981  1.0
  Ti  Ti3  1  0.49999910  0.49034820  0.63558765  1.0
  Cu  Cu4  1  0.49998693  0.41328056  0.27218520  1.0
  O  O5  1  -0.00000723  0.49058319  0.59654697  1.0
  O  O6  1  0.49999430  -0.02363309  0.64263603  1.0
  O  O7  1  -0.00002774  0.52372484  0.27345064  1.0
  O  O8  1  0.49998049  0.16767026  0.42954490  1.0
  O  O9  1  0.50004808  0.60709758  0.82626506  1.0