# generated using pymatgen
data_TiGaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27510789
_cell_length_b   4.27510789
_cell_length_c   5.53846800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaCu
_chemical_formula_sum   'Ti2 Ga2 Cu2'
_cell_volume   87.66262036
_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  0.00000000  0.00000000  0.23699800  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.76300200  1.0
  Ga  Ga2  1  0.66666700  0.33333300  0.52200400  1.0
  Ga  Ga3  1  0.33333300  0.66666700  0.47799600  1.0
  Cu  Cu4  1  0.33333300  0.66666700  0.00184300  1.0
  Cu  Cu5  1  0.66666700  0.33333300  0.99815700  1.0