# generated using pymatgen
data_Ti2MnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.11150806
_cell_length_b   10.11150806
_cell_length_c   10.11150806
_cell_angle_alpha   125.02878108
_cell_angle_beta   118.41810813
_cell_angle_gamma   87.14032417
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnCu
_chemical_formula_sum   'Ti2 Mn1 Cu1'
_cell_volume   707.86733039
_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
  Ti  Ti0  1  0.00000000  0.22538900  0.22538900  1.0
  Ti  Ti1  1  0.00000000  0.77461100  0.77461100  1.0
  Mn  Mn2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1.0