# generated using pymatgen
data_TiCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27789499
_cell_length_b   4.37877117
_cell_length_c   5.37824493
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu3
_chemical_formula_sum   'Ti2 Cu6'
_cell_volume   100.74487125
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.75000000  0.33958062  0.75000000  1.0
  Ti  Ti1  1  0.25000000  0.66041938  0.25000000  1.0
  Cu  Cu2  1  0.25000000  0.16739927  0.99686688  1.0
  Cu  Cu3  1  0.75000000  0.83260073  0.00313312  1.0
  Cu  Cu4  1  0.75000000  0.31817077  0.25000000  1.0
  Cu  Cu5  1  0.25000000  0.68182923  0.75000000  1.0
  Cu  Cu6  1  0.75000000  0.83260073  0.49686688  1.0
  Cu  Cu7  1  0.25000000  0.16739927  0.50313312  1.0