# generated using pymatgen
data_Ba2FeCu3As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82016103
_cell_length_b   6.93390718
_cell_length_c   5.82712493
_cell_angle_alpha   65.00788908
_cell_angle_beta   90.00045579
_cell_angle_gamma   89.99935815
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2FeCu3As4
_chemical_formula_sum   'Ba2 Fe1 Cu3 As4'
_cell_volume   213.14293644
_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  0.99599106  0.00000216  0.99999765  1.0
  Ba  Ba1  1  0.50388255  0.00000149  0.49999124  1.0
  Fe  Fe2  1  0.24989754  0.50001078  0.49999462  1.0
  Cu  Cu3  1  0.25061084  0.50000086  0.99999989  1.0
  Cu  Cu4  1  0.74903073  0.49998476  0.99999985  1.0
  Cu  Cu5  1  0.74975903  0.49999067  0.50000777  1.0
  As  As6  1  0.49441266  0.70914078  0.15021687  1.0
  As  As7  1  0.00600146  0.70905202  0.63951897  1.0
  As  As8  1  0.00602701  0.29094296  0.36049742  1.0
  As  As9  1  0.49438810  0.29087452  0.84977572  1.0