# generated using pymatgen
data_Ca10Cu3Hg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12661883
_cell_length_b   9.12661914
_cell_length_c   9.16610965
_cell_angle_alpha   129.59396013
_cell_angle_beta   129.59396359
_cell_angle_gamma   73.72779639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca10Cu3Hg2Ir
_chemical_formula_sum   'Ca10 Cu3 Hg2 Ir1'
_cell_volume   443.03259354
_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  0.53226130  0.02314014  0.83331208  1.0
  Ca  Ca1  1  0.19894922  0.68982706  0.16668792  1.0
  Ca  Ca2  1  0.03098260  0.18962018  0.50000000  1.0
  Ca  Ca3  1  0.68309764  0.54379496  0.50000000  1.0
  Ca  Ca4  1  0.47685986  0.96773870  0.16668792  1.0
  Ca  Ca5  1  0.81017294  0.30105078  0.83331208  1.0
  Ca  Ca6  1  0.95620504  0.81690236  0.50000000  1.0
  Ca  Ca7  1  0.31037982  0.46901740  0.50000000  1.0
  Ca  Ca8  1  0.50242561  0.50655150  0.00897811  1.0
  Ca  Ca9  1  0.99344850  0.99757439  0.99102189  1.0
  Cu  Cu10  1  0.38521159  0.11478841  0.50000000  1.0
  Cu  Cu11  1  0.11032079  0.61065452  0.72097431  1.0
  Cu  Cu12  1  0.88934548  0.38967921  0.27902569  1.0
  Hg  Hg13  1  0.25326810  0.24673190  0.00000000  1.0
  Hg  Hg14  1  0.75326810  0.74673190  0.00000000  1.0
  Ir  Ir15  1  0.61380341  0.88619659  0.50000000  1.0