# generated using pymatgen
data_CrIrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06507497
_cell_length_b   5.41561965
_cell_length_c   4.47202103
_cell_angle_alpha   90.25030778
_cell_angle_beta   90.00059867
_cell_angle_gamma   55.53090987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIrO4
_chemical_formula_sum   'Cr1 Ir1 O4'
_cell_volume   61.19862441
_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
  Cr  Cr0  1  0.49996397  0.99951577  0.00041781  1.0
  Ir  Ir1  1  0.49998246  0.49953526  0.50041352  1.0
  O  O2  1  0.19134369  0.80817346  0.81025288  1.0
  O  O3  1  0.19875274  0.30074941  0.69817875  1.0
  O  O4  1  0.80856138  0.19088614  0.19059293  1.0
  O  O5  1  0.80116676  0.69829795  0.30264411  1.0