# generated using pymatgen
data_Ca9SmIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58468179
_cell_length_b   8.58468217
_cell_length_c   7.55540078
_cell_angle_alpha   82.77557371
_cell_angle_beta   82.77557482
_cell_angle_gamma   44.79870519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9SmIr4
_chemical_formula_sum   'Ca9 Sm1 Ir4'
_cell_volume   388.69117418
_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
  Ca  Ca0  1  0.02591525  0.80067710  0.41651303  1.0
  Ca  Ca1  1  0.19932290  0.97408475  0.08348697  1.0
  Ca  Ca2  1  0.97862755  0.19647077  0.58088844  1.0
  Ca  Ca3  1  0.80352923  0.02137245  0.91911156  1.0
  Ca  Ca4  1  0.36292652  0.20403619  0.32272726  1.0
  Ca  Ca5  1  0.79596381  0.63707348  0.17727274  1.0
  Ca  Ca6  1  0.63853483  0.79980019  0.67757973  1.0
  Ca  Ca7  1  0.20019981  0.36146517  0.82242027  1.0
  Ca  Ca8  1  0.57177169  0.42822831  0.25000000  1.0
  Sm  Sm9  1  0.43548759  0.56451241  0.75000000  1.0
  Ir  Ir10  1  0.17965716  0.60385859  0.07401203  1.0
  Ir  Ir11  1  0.39614141  0.82034284  0.42598797  1.0
  Ir  Ir12  1  0.81386367  0.40194143  0.91326680  1.0
  Ir  Ir13  1  0.59805857  0.18613633  0.58673320  1.0