# generated using pymatgen
data_BaTiP2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18232561
_cell_length_b   7.18232597
_cell_length_c   7.18232627
_cell_angle_alpha   147.86604600
_cell_angle_beta   147.86605059
_cell_angle_gamma   46.08314342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiP2Ir
_chemical_formula_sum   'Ba1 Ti1 P2 Ir1'
_cell_volume   104.46162421
_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  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.25000000  0.75000000  0.50000000  1.0
  P  P2  1  0.64478344  0.64478344  0.00000000  1.0
  P  P3  1  0.35521656  0.35521656  1.00000000  1.0
  Ir  Ir4  1  0.75000000  0.25000000  0.50000000  1.0