# generated using pymatgen
data_TiCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57073479
_cell_length_b   4.57073479
_cell_length_c   4.37469951
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.67477476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2
_chemical_formula_sum   'Ti2 Cu4'
_cell_volume   78.60634220
_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  0.79354019  0.79354019  0.25000000  1.0
  Ti  Ti1  1  0.20645981  0.20645981  0.75000000  1.0
  Cu  Cu2  1  0.13858601  0.48478035  0.25000000  1.0
  Cu  Cu3  1  0.51521965  0.86141399  0.75000000  1.0
  Cu  Cu4  1  0.86141399  0.51521965  0.75000000  1.0
  Cu  Cu5  1  0.48478035  0.13858601  0.25000000  1.0