data_ZnCr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   2.58
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Tc
_chemical_formula_sum   'Zn1 Cr2 Tc1'
_cell_volume   52.38
_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
  Zn  Zn3  1  0.0  0.0  0.02  1.0
  Cr  Cr0  1  0.48  0.0  0.25  1.0
  Cr  Cr1  1  0.0  0.0  0.39  1.0
  Tc  Tc2  1  0.48  0.0  0.31  1.0

data_ZnCr2Tc
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.58
_cell_length_b   8.39
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ZnCr2Tc
_chemical_formula_sum   'Zn1 Cr2 Tc1'
_cell_volume   52.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zn  Zn0  1  0.0  0.98  0.0  1.0
  Cr  Cr1  1  0.0  0.61  0.0  1.0
  Cr  Cr2  1  0.5  0.75  0.0  1.0
  Tc  Tc3  1  0.5  0.69  0.0  1.0

Zn Cr Cr Tc
Zn Cr Cr Tc 0 0 + + o 0 0 o + o 0 0 + o o 0 3 - o o 0 3 o o o 0 1 - o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 - o o 2 3 o o o 