data_ZnCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   136.51
_cell_angle_beta   136.51
_cell_angle_gamma   63.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuTc2
_chemical_formula_sum   'Zn1 Cu1 Tc2'
_cell_volume   55.76
_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  0.19  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.82  0.0  0.1  1.0
  Tc  Tc2  1  0.0  0.82  0.1  1.0

data_ZnCuTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   121.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCuTc2
_chemical_formula_sum   'Zn2 Cu2 Tc4'
_cell_volume   111.53
_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
  Zn  Zn0  2  0.0  0.0  0.19  1.0
  Tc  Tc1  4  0.09  0.09  0.27  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0

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