# generated using pymatgen
data_Ca4ZrIr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50471279
_cell_length_b   5.50471481
_cell_length_c   8.47714065
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ZrIr7
_chemical_formula_sum   'Ca4 Zr1 Ir7'
_cell_volume   222.45877247
_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  0.07785014  1.0
  Ca  Ca1  1  0.33333400  0.66666700  0.43657220  1.0
  Ca  Ca2  1  0.66666600  0.33333400  0.56342880  1.0
  Ca  Ca3  1  0.66666600  0.33333400  0.92215086  1.0
  Zr  Zr4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.34810210  0.17405055  0.25291119  1.0
  Ir  Ir6  1  0.82594945  0.17405055  0.25291119  1.0
  Ir  Ir7  1  0.82594945  0.65189690  0.25291119  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir9  1  0.17404955  0.34810110  0.74708881  1.0
  Ir  Ir10  1  0.17405055  0.82594945  0.74708881  1.0
  Ir  Ir11  1  0.65189690  0.82594945  0.74708881  1.0