data_Sc2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   145.05
_cell_angle_beta   132.88
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcNi
_chemical_formula_sum   'Sc2 Tc1 Ni1'
_cell_volume   67.23
_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  Sc1  1  0.0  0.18  0.58  1.0
  Sc  Sc2  1  0.0  0.0  0.46  1.0
  Tc  Tc3  1  0.0  0.18  0.16  1.0
  Ni  Ni0  1  0.0  0.0  0.95  1.0

data_Sc2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.36
_cell_length_c   5.45
_cell_angle_alpha   113.56
_cell_angle_beta   107.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcNi
_chemical_formula_sum   'Sc2 Tc1 Ni1'
_cell_volume   67.23
_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  0.42  0.6  0.6  1.0
  Sc  Sc1  1  0.54  0.54  0.54  1.0
  Tc  Tc2  1  0.84  0.01  0.01  1.0
  Ni  Ni3  1  0.05  0.05  0.05  1.0

Sc Sc Tc Ni
Sc Sc Tc Ni 0 1 o o o 2 3 o o - 