# generated using pymatgen
data_Sc2TlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.37416423
_cell_length_b   12.37416423
_cell_length_c   12.37416423
_cell_angle_alpha   130.23692842
_cell_angle_beta   121.69919415
_cell_angle_gamma   80.13021825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlMo
_chemical_formula_sum   'Sc2 Tl1 Mo1'
_cell_volume   1188.73748151
_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
  Sc  Sc0  1  0.00000000  0.21812200  0.21812200  1.0
  Sc  Sc1  1  0.00000000  0.78187800  0.78187800  1.0
  Tl  Tl2  1  0.00000000  0.50000000  0.50000000  1.0
  Mo  Mo3  1  0.00000000  0.00000000  0.00000000  1.0