# generated using pymatgen
data_BaNdMnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98003900
_cell_length_b   3.98003900
_cell_length_c   7.88819000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNdMnCoO5
_chemical_formula_sum   'Ba1 Nd1 Mn1 Co1 O5'
_cell_volume   124.95453370
_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  0.00000000  0.00000000  0.99050600  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.50613100  1.0
  Mn  Mn2  1  0.50000000  0.50000000  0.25736800  1.0
  Co  Co3  1  0.50000000  0.50000000  0.73844800  1.0
  O  O4  1  0.50000000  0.00000000  0.69224400  1.0
  O  O5  1  0.00000000  0.50000000  0.69224400  1.0
  O  O6  1  0.50000000  0.00000000  0.31009200  1.0
  O  O7  1  0.00000000  0.50000000  0.31009200  1.0
  O  O8  1  0.50000000  0.50000000  0.00287500  1.0