data_CrTc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   3.91
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   96.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Ni
_chemical_formula_sum   'Cr1 Tc2 Ni1'
_cell_volume   52.3
_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  0.02  0.96  0.91  1.0
  Tc  Tc3  1  0.92  0.96  0.31  1.0
  Ni  Ni1  1  0.69  0.0  0.61  1.0

data_CrTc2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   3.91
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   96.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Ni
_chemical_formula_sum   'Cr1 Tc2 Ni1'
_cell_volume   52.3
_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  0.02  0.96  0.91  1.0
  Tc  Tc2  1  0.92  0.96  0.31  1.0
  Ni  Ni3  1  0.69  0.0  0.61  1.0

Cr Tc Tc Ni