# generated using pymatgen
data_BaSnPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46861951
_cell_length_b   7.46861944
_cell_length_c   7.46861911
_cell_angle_alpha   148.21159280
_cell_angle_beta   148.21159273
_cell_angle_gamma   45.57310783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnPIr2
_chemical_formula_sum   'Ba1 Sn1 P1 Ir2'
_cell_volume   115.22681462
_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  0.97882524  0.97882524  1.00000000  1.0
  Sn  Sn1  1  0.64248511  0.64248511  1.00000000  1.0
  P  P2  1  0.34495207  0.34495207  0.00000000  1.0
  Ir  Ir3  1  0.76686979  0.26686979  0.50000000  1.0
  Ir  Ir4  1  0.26686979  0.76686979  0.50000000  1.0