# generated using pymatgen
data_Ca10HgIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71779349
_cell_length_b   8.75462288
_cell_length_c   7.73591826
_cell_angle_alpha   83.03309511
_cell_angle_beta   82.52988568
_cell_angle_gamma   44.43840316
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca10HgIr3
_chemical_formula_sum   'Ca10 Hg1 Ir3'
_cell_volume   409.51978138
_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  0.01996470  0.81279340  0.93534463  1.0
  Ca  Ca1  1  0.19841731  0.98759218  0.58413120  1.0
  Ca  Ca2  1  0.98829862  0.19180783  0.08948651  1.0
  Ca  Ca3  1  0.77422160  0.05670148  0.41258523  1.0
  Ca  Ca4  1  0.37689276  0.18216068  0.83503729  1.0
  Ca  Ca5  1  0.78604293  0.63287136  0.67373898  1.0
  Ca  Ca6  1  0.64241388  0.79074905  0.17508044  1.0
  Ca  Ca7  1  0.19990268  0.35387388  0.30591091  1.0
  Ca  Ca8  1  0.58680070  0.41878931  0.76602211  1.0
  Ca  Ca9  1  0.43783487  0.57427497  0.23010353  1.0
  Hg  Hg10  1  0.17931791  0.59963413  0.57668962  1.0
  Ir  Ir11  1  0.39298634  0.82618102  0.91342664  1.0
  Ir  Ir12  1  0.82156616  0.39432886  0.41692918  1.0
  Ir  Ir13  1  0.59533953  0.17824085  0.08551473  1.0