# generated using pymatgen
data_Ca10CuIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61931858
_cell_length_b   8.66245673
_cell_length_c   7.66841310
_cell_angle_alpha   83.06697258
_cell_angle_beta   82.71292393
_cell_angle_gamma   44.64247490
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca10CuIr3
_chemical_formula_sum   'Ca10 Cu1 Ir3'
_cell_volume   398.69464254
_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  0.02157292  0.80877217  0.92543482  1.0
  Ca  Ca1  1  0.20041259  0.98520784  0.58258030  1.0
  Ca  Ca2  1  0.98084806  0.19570443  0.08582814  1.0
  Ca  Ca3  1  0.78884228  0.04022204  0.41415390  1.0
  Ca  Ca4  1  0.37144206  0.18898354  0.83227513  1.0
  Ca  Ca5  1  0.78923675  0.63489976  0.67603169  1.0
  Ca  Ca6  1  0.64013554  0.79335179  0.17601491  1.0
  Ca  Ca7  1  0.20075925  0.35937715  0.31365832  1.0
  Ca  Ca8  1  0.58000315  0.42304184  0.75803808  1.0
  Ca  Ca9  1  0.43329828  0.57342931  0.23779254  1.0
  Cu  Cu10  1  0.17800810  0.60030194  0.58137181  1.0
  Ir  Ir11  1  0.39318139  0.82510088  0.91343009  1.0
  Ir  Ir12  1  0.82313406  0.39459426  0.41777957  1.0
  Ir  Ir13  1  0.59912555  0.17701504  0.08561070  1.0