data_Cr2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   7.94
_cell_angle_alpha   19.9
_cell_angle_beta   19.9
_cell_angle_gamma   19.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PIr
_chemical_formula_sum   'Cr2 P1 Ir1'
_cell_volume   50.75
_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
  Cr  Cr0  1  0.0  0.0  0.05  1.0
  Cr  Cr1  1  0.0  0.0  0.94  1.0
  P  P3  1  0.0  0.0  0.37  1.0
  Ir  Ir2  1  0.0  0.0  0.64  1.0

data_Cr2PIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   2.74
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   101.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2PIr
_chemical_formula_sum   'Cr4 P2 Ir2'
_cell_volume   101.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cr  Cr0  2  0.0  0.0  0.06  1.0
  Cr  Cr1  2  0.0  0.0  0.95  1.0
  P  P2  2  0.0  0.0  0.63  1.0
  Ir  Ir3  2  0.0  0.0  0.36  1.0

Cr Cr P Ir