# generated using pymatgen
data_BaNdCuBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55492700
_cell_length_b   5.55492700
_cell_length_c   7.65796200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNdCuBO5
_chemical_formula_sum   'Ba2 Nd2 Cu2 B2 O10'
_cell_volume   236.30337205
_cell_formula_units_Z   2
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  0.51241100  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.51241100  1.0
  Nd  Nd2  1  0.50000000  0.50000000  0.00475200  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.00475200  1.0
  Cu  Cu4  1  0.00000000  0.50000000  0.78398300  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.78398300  1.0
  B  B6  1  0.50000000  0.00000000  0.26387600  1.0
  B  B7  1  0.00000000  0.50000000  0.26387600  1.0
  O  O8  1  0.34484700  0.15515300  0.17612700  1.0
  O  O9  1  0.15515300  0.65515300  0.17612700  1.0
  O  O10  1  0.00000000  0.50000000  0.44607100  1.0
  O  O11  1  0.50000000  0.00000000  0.44607100  1.0
  O  O12  1  0.84484700  0.34484700  0.17612700  1.0
  O  O13  1  0.65515300  0.84484700  0.17612700  1.0
  O  O14  1  0.25241600  0.75241600  0.79902600  1.0
  O  O15  1  0.24758400  0.25241600  0.79902600  1.0
  O  O16  1  0.75241600  0.74758400  0.79902600  1.0
  O  O17  1  0.74758400  0.24758400  0.79902600  1.0