data_SrMn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.8
_cell_angle_alpha   106.35
_cell_angle_beta   106.35
_cell_angle_gamma   50.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2Ir
_chemical_formula_sum   'Sr1 Mn2 Ir1'
_cell_volume   81.66
_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  Sr3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.64  0.0  0.17  1.0
  Mn  Mn2  1  0.48  0.0  0.34  1.0
  Ir  Ir0  1  0.06  0.0  0.76  1.0

data_SrMn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.38
_cell_length_c   5.8
_cell_angle_alpha   106.35
_cell_angle_beta   90.0
_cell_angle_gamma   115.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2Ir
_chemical_formula_sum   'Sr1 Mn2 Ir1'
_cell_volume   81.66
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.36  0.83  1.0
  Mn  Mn2  1  0.0  0.52  0.66  1.0
  Ir  Ir3  1  0.0  0.94  0.24  1.0

Sr Mn Mn Ir