# generated using pymatgen
data_ScTlO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74933677
_cell_length_b   6.74933677
_cell_length_c   6.74933687
_cell_angle_alpha   28.02487571
_cell_angle_beta   28.02487571
_cell_angle_gamma   28.02487673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlO2
_chemical_formula_sum   'Sc1 Tl1 O2'
_cell_volume   59.95223835
_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  0.50000000  0.50000000  0.50000000  1.0
  Tl  Tl1  1  0.00000000  0.00000000  0.00000000  1.0
  O  O2  1  0.22121800  0.22121800  0.22121800  1.0
  O  O3  1  0.77878200  0.77878200  0.77878200  1.0