data_ScZn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Tc
_chemical_formula_sum   'Sc1 Zn2 Tc1'
_cell_volume   65.78
_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  0.08  1.0
  Zn  Zn2  1  0.0  0.0  0.84  1.0
  Zn  Zn3  1  0.67  0.67  0.32  1.0
  Tc  Tc1  1  0.67  0.67  0.5  1.0

data_ScZn2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScZn2Tc
_chemical_formula_sum   'Sc2 Zn4 Tc2'
_cell_volume   131.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.08  1.0
  Zn  Zn1  2  0.0  0.0  0.84  1.0
  Zn  Zn2  2  0.17  0.5  0.32  1.0
  Tc  Tc3  2  0.17  0.5  0.5  1.0

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