# generated using pymatgen
data_Ca4SmIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64487321
_cell_length_b   8.64487382
_cell_length_c   7.46740403
_cell_angle_alpha   82.71055845
_cell_angle_beta   82.71055855
_cell_angle_gamma   45.15175384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4SmIr2
_chemical_formula_sum   'Ca8 Sm2 Ir4'
_cell_volume   391.90410997
_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
  Ca  Ca0  1  0.01901102  0.80650430  0.41726227  1.0
  Ca  Ca1  1  0.19349570  0.98098898  0.08273773  1.0
  Ca  Ca2  1  0.98098898  0.19349570  0.58273773  1.0
  Ca  Ca3  1  0.80650430  0.01901102  0.91726227  1.0
  Ca  Ca4  1  0.36153697  0.20248902  0.32047587  1.0
  Ca  Ca5  1  0.79751098  0.63846303  0.17952413  1.0
  Ca  Ca6  1  0.63846303  0.79751098  0.67952413  1.0
  Ca  Ca7  1  0.20248902  0.36153697  0.82047587  1.0
  Sm  Sm8  1  0.56204573  0.43795427  0.25000000  1.0
  Sm  Sm9  1  0.43795427  0.56204573  0.75000000  1.0
  Ir  Ir10  1  0.18809669  0.59983324  0.07693175  1.0
  Ir  Ir11  1  0.40016676  0.81190331  0.42306825  1.0
  Ir  Ir12  1  0.81190331  0.40016676  0.92306825  1.0
  Ir  Ir13  1  0.59983324  0.18809669  0.57693175  1.0