# generated using pymatgen
data_Ca5Hg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91524486
_cell_length_b   7.98793169
_cell_length_c   9.17758495
_cell_angle_alpha   115.79790777
_cell_angle_beta   115.54498415
_cell_angle_gamma   90.00049153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Hg2Ir
_chemical_formula_sum   'Ca10 Hg4 Ir2'
_cell_volume   458.61168304
_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  0.99428778  0.01657765  0.00000478  1.0
  Ca  Ca1  1  0.49428800  0.48338895  0.99998435  1.0
  Ca  Ca2  1  0.46636552  0.31931077  0.27156725  1.0
  Ca  Ca3  1  0.96628074  0.45221977  0.27151280  1.0
  Ca  Ca4  1  0.31032283  0.78972018  0.28046335  1.0
  Ca  Ca5  1  0.81027425  0.99073882  0.28043011  1.0
  Ca  Ca6  1  0.19478225  0.04774487  0.72844067  1.0
  Ca  Ca7  1  0.69477025  0.18065938  0.72846014  1.0
  Ca  Ca8  1  0.02985896  0.50927173  0.71956135  1.0
  Ca  Ca9  1  0.52982972  0.71030360  0.71955364  1.0
  Hg  Hg10  1  0.87159653  0.62685424  0.99999314  1.0
  Hg  Hg11  1  0.37165197  0.87320184  0.00000875  1.0
  Hg  Hg12  1  0.25903177  0.25004828  0.50001449  1.0
  Hg  Hg13  1  0.75902937  0.75005118  0.50000903  1.0
  Ir  Ir14  1  0.62381900  0.12403867  0.99995837  1.0
  Ir  Ir15  1  0.12381406  0.37587305  0.00004178  1.0