# generated using pymatgen
data_TiVFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97743635
_cell_length_b   4.98657463
_cell_length_c   7.57697300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.11317244
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVFe
_chemical_formula_sum   'Ti4 V4 Fe4'
_cell_volume   163.05290857
_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  0.83511700  0.33010100  0.75000000  1.0
  Ti  Ti1  1  0.33969400  0.82352700  0.75000000  1.0
  Ti  Ti2  1  0.83639200  0.82382100  0.75000000  1.0
  Ti  Ti3  1  0.16533700  0.66876300  0.25000000  1.0
  V  V4  1  0.34312400  0.31334200  0.54573500  1.0
  V  V5  1  0.66505300  0.66957400  0.42615200  1.0
  V  V6  1  0.66505300  0.66957400  0.07384800  1.0
  V  V7  1  0.34312400  0.31334200  0.95426500  1.0
  Fe  Fe8  1  0.65481900  0.18063500  0.25000000  1.0
  Fe  Fe9  1  0.16522000  0.18075500  0.25000000  1.0
  Fe  Fe10  1  0.99353300  0.01328400  0.49495800  1.0
  Fe  Fe11  1  0.99353300  0.01328400  0.00504200  1.0