# generated using pymatgen
data_SrCa2(SiIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47463364
_cell_length_b   6.47463385
_cell_length_c   6.47463369
_cell_angle_alpha   110.39272403
_cell_angle_beta   107.64352766
_cell_angle_gamma   110.39271940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2(SiIr)4
_chemical_formula_sum   'Sr1 Ca2 Si4 Ir4'
_cell_volume   208.78221203
_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
  Sr  Sr0  1  0.50000000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.00000000  0.50000000  0.50000000  1.0
  Si  Si3  1  0.00355668  0.36915610  0.00355668  1.0
  Si  Si4  1  0.63440058  0.63084390  0.63440058  1.0
  Si  Si5  1  0.99644332  1.00000000  0.36559942  1.0
  Si  Si6  1  0.36559942  0.00000000  0.99644332  1.0
  Ir  Ir7  1  0.99273072  0.71787509  0.99273072  1.0
  Ir  Ir8  1  0.00726928  1.00000000  0.72514438  1.0
  Ir  Ir9  1  0.27485562  0.28212491  0.27485562  1.0
  Ir  Ir10  1  0.72514438  1.00000000  0.00726928  1.0