# generated using pymatgen
data_Ba2TiCu3As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87680183
_cell_length_b   7.06068813
_cell_length_c   5.85727831
_cell_angle_alpha   65.31883347
_cell_angle_beta   90.00073066
_cell_angle_gamma   90.00067374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiCu3As4
_chemical_formula_sum   'Ba2 Ti1 Cu3 As4'
_cell_volume   220.84034035
_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  0.98748810  0.00001469  0.99999219  1.0
  Ba  Ba1  1  0.51205243  0.00001110  0.50000138  1.0
  Ti  Ti2  1  0.24965435  0.50002330  0.49998463  1.0
  Cu  Cu3  1  0.25394241  0.49998619  0.00002701  1.0
  Cu  Cu4  1  0.74544972  0.49998139  0.00004015  1.0
  Cu  Cu5  1  0.75123642  0.49998566  0.49996334  1.0
  As  As6  1  0.49811893  0.71214636  0.14578952  1.0
  As  As7  1  0.00193325  0.71007189  0.64438808  1.0
  As  As8  1  0.00200051  0.28989751  0.35563672  1.0
  As  As9  1  0.49812388  0.28788291  0.85417798  1.0