# generated using pymatgen
data_ScTlCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02592825
_cell_length_b   11.02592825
_cell_length_c   11.02592825
_cell_angle_alpha   121.63470987
_cell_angle_beta   120.38372592
_cell_angle_gamma   88.26421406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlCu2
_chemical_formula_sum   'Sc1 Tl1 Cu2'
_cell_volume   932.76253878
_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  0.00000000  0.00000000  1.0
  Tl  Tl1  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.24517600  0.24517600  1.0
  Cu  Cu3  1  0.00000000  0.75482400  0.75482400  1.0