data_ScBeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   2.73
_cell_angle_alpha   101.09
_cell_angle_beta   101.09
_cell_angle_gamma   116.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeTc2
_chemical_formula_sum   'Sc1 Be1 Tc2'
_cell_volume   58.54
_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  0.67  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.84  0.85  0.27  1.0
  Tc  Tc3  1  0.84  0.15  0.27  1.0

data_ScBeTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.04
_cell_length_c   5.07
_cell_angle_alpha   117.08
_cell_angle_beta   101.09
_cell_angle_gamma   98.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeTc2
_chemical_formula_sum   'Sc1 Be1 Tc2'
_cell_volume   58.54
_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  0.67  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.12  0.85  0.68  1.0
  Tc  Tc3  1  0.42  0.15  0.99  1.0

Sc Be Tc Tc