# generated using pymatgen
data_CaZrAs2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24325302
_cell_length_b   4.24325344
_cell_length_c   13.48363953
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZrAs2Ir
_chemical_formula_sum   'Ca2 Zr2 As4 Ir2'
_cell_volume   210.24985949
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.38961429  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.88961429  1.0
  Zr  Zr2  1  0.33333300  0.66666700  0.62139211  1.0
  Zr  Zr3  1  0.66666700  0.33333300  0.12139211  1.0
  As  As4  1  0.33333300  0.66666700  0.25677164  1.0
  As  As5  1  0.00000000  0.00000000  0.02068935  1.0
  As  As6  1  0.00000000  0.00000000  0.52068935  1.0
  As  As7  1  0.66666700  0.33333300  0.75677164  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.71153062  1.0
  Ir  Ir9  1  0.00000000  0.00000000  0.21153062  1.0