data_CrTc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.67
_cell_angle_alpha   99.49
_cell_angle_beta   99.49
_cell_angle_gamma   33.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Ir
_chemical_formula_sum   'Cr1 Tc2 Ir1'
_cell_volume   55.84
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.64  0.0  0.48  1.0
  Tc  Tc3  1  0.54  0.0  0.13  1.0
  Ir  Ir1  1  0.09  0.0  0.3  1.0

data_CrTc2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.67
_cell_length_c   4.69
_cell_angle_alpha   99.49
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Ir
_chemical_formula_sum   'Cr1 Tc2 Ir1'
_cell_volume   55.84
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.13  0.54  1.0
  Tc  Tc2  1  0.0  0.48  0.64  1.0
  Ir  Ir3  1  0.0  0.3  0.09  1.0

Cr Tc Tc Ir