data_MgTc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   2.74
_cell_angle_alpha   91.44
_cell_angle_beta   91.44
_cell_angle_gamma   118.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Ir
_chemical_formula_sum   'Mg1 Tc2 Ir1'
_cell_volume   59.97
_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  Mg1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.21  0.85  0.37  1.0
  Tc  Tc3  1  0.21  0.15  0.37  1.0
  Ir  Ir0  1  0.55  0.0  0.0  1.0

data_MgTc2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   118.6
_cell_angle_beta   91.44
_cell_angle_gamma   91.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Ir
_chemical_formula_sum   'Mg1 Tc2 Ir1'
_cell_volume   59.97
_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  Mg0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.37  0.21  0.85  1.0
  Tc  Tc2  1  0.37  0.21  0.15  1.0
  Ir  Ir3  1  -0.0  0.55  0.0  1.0

Mg Tc Tc Ir