# generated using pymatgen
data_Sc12Co4SnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70722688
_cell_length_b   7.70722692
_cell_length_c   7.70722701
_cell_angle_alpha   111.15916797
_cell_angle_beta   110.89918413
_cell_angle_gamma   106.39843727
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Co4SnIr
_chemical_formula_sum   'Sc12 Co4 Sn1 Ir1'
_cell_volume   351.67275775
_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  0.42356840  0.22363966  0.19992873  1.0
  Sc  Sc1  1  0.57643160  0.77636034  0.80007127  1.0
  Sc  Sc2  1  0.02371193  0.22363966  0.80007127  1.0
  Sc  Sc3  1  0.97628807  0.77636034  0.19992873  1.0
  Sc  Sc4  1  0.31288908  0.61655803  0.30366794  1.0
  Sc  Sc5  1  0.68711092  0.38344197  0.69633206  1.0
  Sc  Sc6  1  0.31288908  0.00922014  0.69633206  1.0
  Sc  Sc7  1  0.68711092  0.99077986  0.30366794  1.0
  Sc  Sc8  1  0.18449875  0.27739362  0.46189236  1.0
  Sc  Sc9  1  0.81550125  0.72260538  0.53810764  1.0
  Sc  Sc10  1  0.18449875  0.72260538  0.90710613  1.0
  Sc  Sc11  1  0.81550125  0.27739362  0.09289387  1.0
  Co  Co12  1  0.36787938  0.00000000  0.36787938  1.0
  Co  Co13  1  0.63212062  1.00000000  0.63212062  1.0
  Co  Co14  1  0.11583837  0.61583837  0.50000000  1.0
  Co  Co15  1  0.88416163  0.38416163  0.50000000  1.0
  Sn  Sn16  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir17  1  0.00000000  0.00000000  0.00000000  1.0