data_MgCrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   6.83
_cell_length_c   2.7
_cell_angle_alpha   83.37
_cell_angle_beta   74.29
_cell_angle_gamma   22.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrIr
_chemical_formula_sum   'Mg1 Cr1 Ir1'
_cell_volume   44.12
_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
  Mg  Mg2  1  0.46  0.27  0.89  1.0
  Cr  Cr0  1  0.46  0.27  0.25  1.0
  Ir  Ir1  1  0.46  0.27  0.54  1.0

data_MgCrIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.92
_cell_length_b   13.34
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   122.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCrIr
_chemical_formula_sum   'Mg2 Cr2 Ir2'
_cell_volume   88.24
_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
  Mg  Mg0  2  0.46  0.0  0.35  1.0
  Cr  Cr1  2  0.46  0.0  0.7  1.0
  Ir  Ir2  2  0.46  0.0  1.0  1.0

Mg Cr Ir