# generated using pymatgen
data_TiCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29938597
_cell_length_b   4.46834040
_cell_length_c   12.83888075
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu4
_chemical_formula_sum   'Ti4 Cu16'
_cell_volume   246.64927907
_cell_formula_units_Z   4
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  0.34330619  0.90296866  1.0
  Ti  Ti1  1  0.75000000  0.84330619  0.59703134  1.0
  Ti  Ti2  1  0.25000000  0.65669381  0.09703134  1.0
  Ti  Ti3  1  0.25000000  0.15669381  0.40296866  1.0
  Cu  Cu4  1  0.75000000  0.33844507  0.49729666  1.0
  Cu  Cu5  1  0.75000000  0.83844507  0.00270334  1.0
  Cu  Cu6  1  0.25000000  0.66155493  0.50270334  1.0
  Cu  Cu7  1  0.25000000  0.16155493  0.99729666  1.0
  Cu  Cu8  1  0.75000000  0.34249306  0.70057434  1.0
  Cu  Cu9  1  0.75000000  0.84249306  0.79942566  1.0
  Cu  Cu10  1  0.25000000  0.65750694  0.29942566  1.0
  Cu  Cu11  1  0.25000000  0.15750694  0.20057434  1.0
  Cu  Cu12  1  0.75000000  0.32132567  0.10475141  1.0
  Cu  Cu13  1  0.75000000  0.82132567  0.39524859  1.0
  Cu  Cu14  1  0.25000000  0.67867433  0.89524859  1.0
  Cu  Cu15  1  0.25000000  0.17867433  0.60475141  1.0
  Cu  Cu16  1  0.75000000  0.32638297  0.29776672  1.0
  Cu  Cu17  1  0.75000000  0.82638297  0.20223328  1.0
  Cu  Cu18  1  0.25000000  0.67361703  0.70223328  1.0
  Cu  Cu19  1  0.25000000  0.17361703  0.79776672  1.0