# generated using pymatgen
data_Th3Sc2Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01695003
_cell_length_b   8.27917359
_cell_length_c   8.27917319
_cell_angle_alpha   120.00000232
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc2Os3
_chemical_formula_sum   'Th6 Sc4 Os6'
_cell_volume   357.17494180
_cell_formula_units_Z   2
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  0.75000000  0.74041049  0.74041049  1.0
  Th  Th1  1  0.25000000  0.25958951  0.25958951  1.0
  Th  Th2  1  0.75000000  0.00000000  0.25958951  1.0
  Th  Th3  1  0.25000000  1.00000000  0.74041049  1.0
  Th  Th4  1  0.75000000  0.25958951  0.00000000  1.0
  Th  Th5  1  0.25000000  0.74041049  1.00000000  1.0
  Sc  Sc6  1  0.00000000  0.66666700  0.33333300  1.0
  Sc  Sc7  1  0.00000000  0.33333300  0.66666700  1.0
  Sc  Sc8  1  0.50000000  0.33333300  0.66666700  1.0
  Sc  Sc9  1  0.50000000  0.66666700  0.33333300  1.0
  Os  Os10  1  0.75000000  0.39186372  0.39186372  1.0
  Os  Os11  1  0.25000000  0.60813628  0.60813628  1.0
  Os  Os12  1  0.75000000  0.00000000  0.60813628  1.0
  Os  Os13  1  0.25000000  1.00000000  0.39186372  1.0
  Os  Os14  1  0.75000000  0.60813628  0.00000000  1.0
  Os  Os15  1  0.25000000  0.39186372  1.00000000  1.0