data_TcNi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   3.73
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Ir
_chemical_formula_sum   'Tc1 Ni2 Ir1'
_cell_volume   51.15
_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  0.57  0.0  0.55  1.0
  Ni  Ni1  1  0.04  0.0  0.07  1.0
  Ni  Ni2  1  0.27  0.86  0.24  1.0
  Ir  Ir0  1  0.23  0.86  0.85  1.0

data_TcNi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.73
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Ir
_chemical_formula_sum   'Tc1 Ni2 Ir1'
_cell_volume   51.15
_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  0.57  0.0  0.55  1.0
  Ni  Ni1  1  0.04  0.0  0.07  1.0
  Ni  Ni2  1  0.27  0.86  0.24  1.0
  Ir  Ir3  1  0.23  0.86  0.85  1.0

Tc Ni Ni Ir