# generated using pymatgen
data_Ba2YMgCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70207618
_cell_length_b   3.97863696
_cell_length_c   13.99270151
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YMgCu3O7
_chemical_formula_sum   'Ba2 Y1 Mg1 Cu3 O7'
_cell_volume   206.10153861
_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  0.50000000  0.50000000  0.78986026  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.26098703  1.0
  Y  Y2  1  0.50000000  0.50000000  0.51973681  1.0
  Mg  Mg3  1  0.50000000  0.00000000  0.07201529  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.63820586  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.40499391  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.93766449  1.0
  O  O7  1  0.00000000  0.50000000  0.97314650  1.0
  O  O8  1  0.50000000  0.00000000  0.60094973  1.0
  O  O9  1  0.50000000  0.00000000  0.39041924  1.0
  O  O10  1  0.00000000  0.50000000  0.62171294  1.0
  O  O11  1  0.00000000  0.50000000  0.40785244  1.0
  O  O12  1  0.00000000  0.00000000  0.79880532  1.0
  O  O13  1  0.00000000  0.00000000  0.15587217  1.0