data_Sc2TcSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   120.95
_cell_angle_beta   120.95
_cell_angle_gamma   88.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcSn
_chemical_formula_sum   'Sc2 Tc1 Sn1'
_cell_volume   75.77
_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  0.35  0.71  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.42  1.0
  Sn  Sn2  1  0.35  0.0  0.71  1.0

data_Sc2TcSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.77
_cell_angle_alpha   119.52
_cell_angle_beta   119.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcSn
_chemical_formula_sum   'Sc2 Tc1 Sn1'
_cell_volume   75.77
_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
  Sc  Sc1  1  0.36  0.71  0.36  1.0
  Tc  Tc2  1  0.42  0.42  0.42  1.0
  Sn  Sn3  1  0.71  0.36  0.36  1.0

Sc Sc Tc Sn
Sc Sc Tc Sn 0 2 o o o 1 2 o o o 2 3 o o o 