data_ScZn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.11
_cell_length_c   5.46
_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   62.85
_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
  Zn  Zn2  1  0.4  0.05  0.99  1.0
  Zn  Zn3  1  0.4  0.05  0.47  1.0
  Tc  Tc1  1  0.0  0.0  0.73  1.0

data_ScZn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.11
_cell_length_c   5.46
_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   62.85
_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
  Zn  Zn1  1  0.4  0.05  0.47  1.0
  Zn  Zn2  1  0.4  0.05  0.99  1.0
  Tc  Tc3  1  0.0  0.0  0.73  1.0

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