# generated using pymatgen
data_Ba4CuIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39878365
_cell_length_b   4.39878276
_cell_length_c   17.45624763
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4CuIr3
_chemical_formula_sum   'Ba4 Cu1 Ir3'
_cell_volume   292.51397008
_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
  Ba  Ba0  1  0.33333300  0.66666700  0.12577131  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.86691157  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.37422869  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.63308843  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.75000000  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.25000000  1.0
  Ir  Ir6  1  0.66666700  0.33333300  0.25000000  1.0
  Ir  Ir7  1  0.33333300  0.66666700  0.75000000  1.0