# generated using pymatgen
data_BaNd2Mn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97005787
_cell_length_b   3.97005701
_cell_length_c   10.66546900
_cell_angle_alpha   100.72628842
_cell_angle_beta   100.72628000
_cell_angle_gamma   90.00000351
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNd2Mn2O7
_chemical_formula_sum   'Ba1 Nd2 Mn2 O7'
_cell_volume   162.17474063
_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  0.50000100  0.50000000  0.00000000  1.0
  Nd  Nd1  1  0.31794500  0.31794300  0.63588700  1.0
  Nd  Nd2  1  0.68205500  0.68205600  0.36411300  1.0
  Mn  Mn3  1  0.89961900  0.89962100  0.79923900  1.0
  Mn  Mn4  1  0.10038100  0.10038100  0.20076100  1.0
  O  O5  1  0.39117800  0.89117900  0.78235600  1.0
  O  O6  1  0.89117900  0.39117700  0.78235600  1.0
  O  O7  1  0.60882000  0.10882300  0.21764300  1.0
  O  O8  1  0.10882200  0.60882100  0.21764300  1.0
  O  O9  1  0.79336200  0.79336200  0.58672600  1.0
  O  O10  1  0.00000000  0.00000000  0.00000000  1.0
  O  O11  1  0.20663800  0.20663700  0.41327400  1.0