# generated using pymatgen
data_Ca4NbIr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49552176
_cell_length_b   5.49552368
_cell_length_c   8.37422623
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4NbIr7
_chemical_formula_sum   'Ca4 Nb1 Ir7'
_cell_volume   219.02482139
_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  0.33333400  0.66666700  0.07493528  1.0
  Ca  Ca1  1  0.33333400  0.66666700  0.43545845  1.0
  Ca  Ca2  1  0.66666600  0.33333400  0.56454255  1.0
  Ca  Ca3  1  0.66666600  0.33333400  0.92506572  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.34695997  0.17347948  0.24834936  1.0
  Ir  Ir6  1  0.82652052  0.17347948  0.24834936  1.0
  Ir  Ir7  1  0.82652052  0.65303903  0.24834936  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir9  1  0.17347848  0.34695897  0.75165064  1.0
  Ir  Ir10  1  0.17347948  0.82652052  0.75165064  1.0
  Ir  Ir11  1  0.65303903  0.82652052  0.75165064  1.0