# generated using pymatgen
data_Ca10CuHg2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16274343
_cell_length_b   9.16274362
_cell_length_c   9.19359382
_cell_angle_alpha   130.50902509
_cell_angle_beta   130.50901642
_cell_angle_gamma   72.33147150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca10CuHg2Ir3
_chemical_formula_sum   'Ca10 Cu1 Hg2 Ir3'
_cell_volume   436.71648617
_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  0.52933736  0.02933736  0.82641847  1.0
  Ca  Ca1  1  0.19520430  0.69520430  0.15195124  1.0
  Ca  Ca2  1  0.04746453  0.19716077  0.51001310  1.0
  Ca  Ca3  1  0.69716077  0.54746453  0.51001310  1.0
  Ca  Ca4  1  0.45674794  0.95674794  0.15195124  1.0
  Ca  Ca5  1  0.79708010  0.29708010  0.82641847  1.0
  Ca  Ca6  1  0.96254857  0.81285333  0.51001310  1.0
  Ca  Ca7  1  0.31285333  0.46254857  0.51001310  1.0
  Ca  Ca8  1  0.49606595  0.50146328  0.99753023  1.0
  Ca  Ca9  1  0.00146328  0.99606595  0.99753023  1.0
  Cu  Cu10  1  0.88603408  0.38603408  0.27206816  1.0
  Hg  Hg11  1  0.25281682  0.25281682  0.00563365  1.0
  Hg  Hg12  1  0.75281682  0.75281682  0.00563365  1.0
  Ir  Ir13  1  0.61959279  0.87910501  0.49869780  1.0
  Ir  Ir14  1  0.37910501  0.11959279  0.49869780  1.0
  Ir  Ir15  1  0.11370834  0.61370834  0.72741668  1.0