# generated using pymatgen
data_Sc12Mn(Si4Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02385361
_cell_length_b   10.22555079
_cell_length_c   11.67956477
_cell_angle_alpha   89.95441606
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Mn(Si4Ir)3
_chemical_formula_sum   'Sc12 Mn1 Si12 Ir3'
_cell_volume   480.56861580
_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  0.25000000  0.87750577  0.02072702  1.0
  Sc  Sc1  1  0.25000000  0.62282312  0.52120361  1.0
  Sc  Sc2  1  0.75000000  0.12192024  0.98105022  1.0
  Sc  Sc3  1  0.75000000  0.37735892  0.47852290  1.0
  Sc  Sc4  1  0.25000000  0.92089316  0.60112815  1.0
  Sc  Sc5  1  0.25000000  0.58020603  0.10318168  1.0
  Sc  Sc6  1  0.75000000  0.07873305  0.39558245  1.0
  Sc  Sc7  1  0.75000000  0.42069840  0.89990273  1.0
  Sc  Sc8  1  0.25000000  0.66146361  0.80010927  1.0
  Sc  Sc9  1  0.25000000  0.84048726  0.29920282  1.0
  Sc  Sc10  1  0.75000000  0.34258988  0.20058510  1.0
  Sc  Sc11  1  0.75000000  0.15850012  0.69988976  1.0
  Mn  Mn12  1  0.25000000  0.38545406  0.67641854  1.0
  Si  Si13  1  0.25000000  0.01296610  0.82149676  1.0
  Si  Si14  1  0.25000000  0.48660879  0.32304610  1.0
  Si  Si15  1  0.75000000  0.98574633  0.17785583  1.0
  Si  Si16  1  0.75000000  0.51878728  0.67743205  1.0
  Si  Si17  1  0.25000000  0.24775097  0.84462781  1.0
  Si  Si18  1  0.25000000  0.25087259  0.34139888  1.0
  Si  Si19  1  0.75000000  0.75129659  0.15816856  1.0
  Si  Si20  1  0.75000000  0.75208756  0.65751827  1.0
  Si  Si21  1  0.25000000  0.18883480  0.54138873  1.0
  Si  Si22  1  0.25000000  0.30455277  0.04617515  1.0
  Si  Si23  1  0.75000000  0.80520618  0.45434832  1.0
  Si  Si24  1  0.75000000  0.69552708  0.95612693  1.0
  Ir  Ir25  1  0.25000000  0.11065282  0.17727819  1.0
  Ir  Ir26  1  0.75000000  0.61168561  0.32238951  1.0
  Ir  Ir27  1  0.75000000  0.88879189  0.82324368  1.0