# generated using pymatgen
data_Ba2NdMgCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77816112
_cell_length_b   3.98808282
_cell_length_c   14.55021586
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NdMgCu3O7
_chemical_formula_sum   'Ba2 Nd1 Mg1 Cu3 O7'
_cell_volume   219.23711555
_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  0.78020906  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.08583782  1.0
  Nd  Nd2  1  0.50000000  0.50000000  0.52064218  1.0
  Mg  Mg3  1  0.50000000  0.00000000  0.27411298  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.64215984  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.41279298  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.93596873  1.0
  O  O7  1  0.00000000  0.00000000  0.80362418  1.0
  O  O8  1  0.00000000  0.00000000  0.20738401  1.0
  O  O9  1  0.00000000  0.50000000  0.63202437  1.0
  O  O10  1  0.00000000  0.50000000  0.41906060  1.0
  O  O11  1  0.50000000  0.00000000  0.61671573  1.0
  O  O12  1  0.50000000  0.00000000  0.40741758  1.0
  O  O13  1  0.00000000  0.50000000  0.97316094  1.0