# generated using pymatgen
data_Ba2NbCu3As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82949538
_cell_length_b   7.23602032
_cell_length_c   5.81951361
_cell_angle_alpha   66.22754297
_cell_angle_beta   89.99991792
_cell_angle_gamma   89.99997039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbCu3As4
_chemical_formula_sum   'Ba2 Nb1 Cu3 As4'
_cell_volume   224.65257388
_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  0.99282211  0.99999796  0.00000165  1.0
  Ba  Ba1  1  0.50734372  0.99999552  0.49999870  1.0
  Nb  Nb2  1  0.24980078  0.49999170  0.50000780  1.0
  Cu  Cu3  1  0.25043925  0.50000341  0.99999845  1.0
  Cu  Cu4  1  0.74927960  0.50000190  0.99999103  1.0
  Cu  Cu5  1  0.75011299  0.50000825  0.50000259  1.0
  As  As6  1  0.49833768  0.71336821  0.14278866  1.0
  As  As7  1  0.00178797  0.71308309  0.64441472  1.0
  As  As8  1  0.00178401  0.28690771  0.35558503  1.0
  As  As9  1  0.49829191  0.28664427  0.85721137  1.0