# generated using pymatgen
data_BaYMgTiCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94113716
_cell_length_b   3.94122315
_cell_length_c   9.44867661
_cell_angle_alpha   90.02924551
_cell_angle_beta   90.03066167
_cell_angle_gamma   90.01028859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYMgTiCuO5
_chemical_formula_sum   'Ba1 Y1 Mg1 Ti1 Cu1 O5'
_cell_volume   146.76531622
_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  0.99993200  0.99993400  0.04814500  1.0
  Y  Y1  1  0.00024100  0.00022800  0.41073000  1.0
  Mg  Mg2  1  0.99990100  0.99990700  0.70396200  1.0
  Ti  Ti3  1  0.50001600  0.50001800  0.73667900  1.0
  Cu  Cu4  1  0.50005300  0.50005100  0.27985300  1.0
  O  O5  1  0.99991800  0.49978700  0.62664100  1.0
  O  O6  1  0.49977700  0.99992700  0.62662500  1.0
  O  O7  1  0.00007600  0.50002300  0.28659000  1.0
  O  O8  1  0.50002800  0.00006900  0.28657900  1.0
  O  O9  1  0.50005300  0.50005100  0.93211200  1.0