# generated using pymatgen
data_Ba2Cu3MoAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75568936
_cell_length_b   7.18314341
_cell_length_c   5.76913103
_cell_angle_alpha   66.33837173
_cell_angle_beta   90.00012820
_cell_angle_gamma   89.99980650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cu3MoAs4
_chemical_formula_sum   'Ba2 Cu3 Mo1 As4'
_cell_volume   218.46673536
_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  0.99685808  0.99999774  0.00000247  1.0
  Ba  Ba1  1  0.50252137  0.99999861  0.49999887  1.0
  Cu  Cu2  1  0.25054885  0.49999913  0.99999868  1.0
  Cu  Cu3  1  0.74912648  0.50000845  0.99999395  1.0
  Cu  Cu4  1  0.75001237  0.50000741  0.49999972  1.0
  Mo  Mo5  1  0.25011055  0.49999967  0.49999840  1.0
  As  As6  1  0.49585620  0.71072540  0.14813946  1.0
  As  As7  1  0.00455212  0.71029792  0.64178377  1.0
  As  As8  1  0.00455389  0.28969394  0.35822304  1.0
  As  As9  1  0.49585910  0.28927171  0.85186165  1.0