data_FeP2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   4.89
_cell_angle_alpha   101.73
_cell_angle_beta   101.73
_cell_angle_gamma   42.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Ir
_chemical_formula_sum   'Fe1 P2 Ir1'
_cell_volume   49.63
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.04  0.0  0.69  1.0
  P  P3  1  0.22  0.0  0.08  1.0
  Ir  Ir1  1  0.13  0.0  0.39  1.0

data_FeP2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.93
_cell_length_c   4.89
_cell_angle_alpha   101.73
_cell_angle_beta   90.0
_cell_angle_gamma   111.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Ir
_chemical_formula_sum   'Fe1 P2 Ir1'
_cell_volume   49.63
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.78  0.92  1.0
  P  P2  1  0.0  0.96  0.31  1.0
  Ir  Ir3  1  0.0  0.87  0.61  1.0

Fe P P Ir