data_[Sr1P2Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3339]
_cell_length_b [4.2431]
_cell_length_c [5.0846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrP2Ir]
_chemical_formula_sum '[Sr1 P2 Ir1]'
_cell_volume [91.9077]
_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
[
  Sr  Sr0  1  0.5449  0.0000  0.5087  1
  P  P1  1  0.2438  0.5000  0.8622  1
  P  P2  1  0.9623  0.0000  0.0822  1
  Ir  Ir3  1  0.7490  0.5000  0.0468  1
]