data_TcAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.84
_cell_angle_alpha   99.07
_cell_angle_beta   99.07
_cell_angle_gamma   33.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgIr2
_chemical_formula_sum   'Tc1 Ag1 Ir2'
_cell_volume   60.55
_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
  Ag  Ag0  1  0.22  0.0  0.39  1.0
  Ir  Ir1  1  0.77  0.0  0.64  1.0
  Ir  Ir2  1  0.68  0.0  0.13  1.0

data_TcAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.82
_cell_length_c   4.84
_cell_angle_alpha   99.07
_cell_angle_beta   90.0
_cell_angle_gamma   106.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgIr2
_chemical_formula_sum   'Tc1 Ag1 Ir2'
_cell_volume   60.55
_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
  Ag  Ag1  1  0.0  0.78  0.61  1.0
  Ir  Ir2  1  0.0  0.23  0.36  1.0
  Ir  Ir3  1  0.0  0.32  0.87  1.0

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