# generated using pymatgen
data_Th(TiZn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55698682
_cell_length_b   5.55698571
_cell_length_c   5.55698669
_cell_angle_alpha   101.37045234
_cell_angle_beta   101.37045130
_cell_angle_gamma   127.27897345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(TiZn2)2
_chemical_formula_sum   'Th1 Ti2 Zn4'
_cell_volume   122.34375446
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.25000000  0.75000000  0.50000000  1.0
  Ti  Ti2  1  0.75000000  0.25000000  0.50000000  1.0
  Zn  Zn3  1  0.69227136  0.30772864  0.00000000  1.0
  Zn  Zn4  1  0.69227136  0.69227136  0.38454371  1.0
  Zn  Zn5  1  0.30772864  0.30772864  0.61545629  1.0
  Zn  Zn6  1  0.30772864  0.69227136  1.00000000  1.0