# generated using pymatgen
data_Ba2YMgCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74005283
_cell_length_b   3.95119814
_cell_length_c   14.51936494
_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   214.56267096
_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  0.77883391  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.08752044  1.0
  Y  Y2  1  0.50000000  0.50000000  0.52117609  1.0
  Mg  Mg3  1  0.50000000  0.00000000  0.27750012  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.63752828  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.41890522  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.93592496  1.0
  O  O7  1  0.00000000  0.50000000  0.97358981  1.0
  O  O8  1  0.50000000  0.00000000  0.60934174  1.0
  O  O9  1  0.50000000  0.00000000  0.41111595  1.0
  O  O10  1  0.00000000  0.50000000  0.62657765  1.0
  O  O11  1  0.00000000  0.50000000  0.42671828  1.0
  O  O12  1  0.00000000  0.00000000  0.80224213  1.0
  O  O13  1  0.00000000  0.00000000  0.20969243  1.0