# generated using pymatgen
data_TiVFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.99255060
_cell_length_b   13.99255060
_cell_length_c   13.99255060
_cell_angle_alpha   142.83759639
_cell_angle_beta   116.04778665
_cell_angle_gamma   76.34664669
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVFe2
_chemical_formula_sum   'Ti1 V1 Fe2'
_cell_volume   1453.73269561
_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  0.00000000  0.00000000  1.0
  V  V1  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe2  1  0.00000000  0.24599200  0.24599200  1.0
  Fe  Fe3  1  0.00000000  0.75400800  0.75400800  1.0