data_TcSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.49
_cell_angle_alpha   101.79
_cell_angle_beta   101.79
_cell_angle_gamma   39.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn2Ir
_chemical_formula_sum   'Tc1 Sn2 Ir1'
_cell_volume   72.17
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.27  0.0  0.03  1.0
  Sn  Sn2  1  0.19  0.0  0.33  1.0
  Ir  Ir0  1  0.73  0.0  0.68  1.0

data_TcSn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.6
_cell_length_c   5.49
_cell_angle_alpha   101.79
_cell_angle_beta   90.0
_cell_angle_gamma   109.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn2Ir
_chemical_formula_sum   'Tc1 Sn2 Ir1'
_cell_volume   72.17
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.73  0.97  1.0
  Sn  Sn2  1  0.0  0.81  0.67  1.0
  Ir  Ir3  1  0.0  0.27  0.32  1.0

Tc Sn Sn Ir
Tc Sn Sn Ir 0 1 o o o 0 2 o o o 0 3 - o - 1 2 o o o 