data_Mn2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.44
_cell_angle_alpha   100.0
_cell_angle_beta   100.0
_cell_angle_gamma   34.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoIr
_chemical_formula_sum   'Mn2 Co1 Ir1'
_cell_volume   47.74
_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
  Mn  Mn2  1  0.58  0.0  0.34  1.0
  Mn  Mn3  1  0.5  0.0  0.23  1.0
  Co  Co0  1  0.81  0.0  0.27  1.0
  Ir  Ir1  1  0.1  0.0  0.08  1.0

data_Mn2CoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.4
_cell_length_c   4.44
_cell_angle_alpha   100.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoIr
_chemical_formula_sum   'Mn2 Co1 Ir1'
_cell_volume   47.74
_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
  Mn  Mn0  1  0.0  0.42  0.66  1.0
  Mn  Mn1  1  0.0  0.5  0.77  1.0
  Co  Co2  1  0.0  0.19  0.73  1.0
  Ir  Ir3  1  0.0  0.9  0.92  1.0

Mn Mn Co Ir