data_ScTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.74
_cell_angle_alpha   99.91
_cell_angle_beta   99.91
_cell_angle_gamma   34.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcNi2
_chemical_formula_sum   'Sc1 Tc1 Ni2'
_cell_volume   57.28
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.01  0.0  0.33  1.0
  Ni  Ni0  1  0.48  0.0  0.31  1.0
  Ni  Ni1  1  0.53  0.0  0.35  1.0

data_ScTcNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.65
_cell_length_c   4.74
_cell_angle_alpha   99.91
_cell_angle_beta   90.0
_cell_angle_gamma   107.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcNi2
_chemical_formula_sum   'Sc1 Tc1 Ni2'
_cell_volume   57.28
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.99  0.67  1.0
  Ni  Ni2  1  0.0  0.47  0.65  1.0
  Ni  Ni3  1  0.0  0.52  0.69  1.0

Sc Tc Ni Ni