data_MnTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   145.22
_cell_angle_beta   129.71
_cell_angle_gamma   62.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcIr2
_chemical_formula_sum   'Mn1 Tc1 Ir2'
_cell_volume   57.43
_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  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.35  1.0
  Ir  Ir0  1  0.52  0.0  0.99  1.0
  Ir  Ir1  1  0.0  0.17  0.36  1.0

data_MnTcIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.33
_cell_length_c   5.1
_cell_angle_alpha   115.15
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcIr2
_chemical_formula_sum   'Mn1 Tc1 Ir2'
_cell_volume   57.43
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.65  0.65  0.65  1.0
  Ir  Ir2  1  0.53  0.01  0.53  1.0
  Ir  Ir3  1  0.64  0.81  0.81  1.0

Mn Tc Ir Ir