# generated using pymatgen
data_Ba4AsP3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57133308
_cell_length_b   6.57133308
_cell_length_c   6.57133308
_cell_angle_alpha   89.62951682
_cell_angle_beta   90.37048318
_cell_angle_gamma   89.62951682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4AsP3Ir4
_chemical_formula_sum   'Ba4 As1 P3 Ir4'
_cell_volume   283.74818034
_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  0.63049729  0.37289039  0.87269522  1.0
  Ba  Ba1  1  0.37269522  0.86950271  0.62710961  1.0
  Ba  Ba2  1  0.12710961  0.12730478  0.13049729  1.0
  Ba  Ba3  1  0.87158520  0.62841480  0.37158520  1.0
  As  As4  1  0.15688192  0.34311808  0.65688192  1.0
  P  P5  1  0.65251939  0.15003032  0.34299791  1.0
  P  P6  1  0.34996968  0.65700209  0.15251939  1.0
  P  P7  1  0.84299791  0.84748061  0.84996968  1.0
  Ir  Ir8  1  0.59559857  0.90440143  0.09559857  1.0
  Ir  Ir9  1  0.09543999  0.60860184  0.91330705  1.0
  Ir  Ir10  1  0.41330705  0.40456001  0.39139816  1.0
  Ir  Ir11  1  0.89139816  0.08669295  0.59543999  1.0