data_SrCuTc2
_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   131.08
_cell_angle_beta   119.14
_cell_angle_gamma   81.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuTc2
_chemical_formula_sum   'Sr1 Cu1 Tc2'
_cell_volume   75.52
_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
  Sr  Sr1  1  0.04  0.0  0.8  1.0
  Cu  Cu0  1  0.0  0.0  0.84  1.0
  Tc  Tc2  1  0.0  0.0  0.16  1.0
  Tc  Tc3  1  0.0  0.49  0.07  1.0

data_SrCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.86
_cell_angle_beta   65.54
_cell_angle_gamma   65.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuTc2
_chemical_formula_sum   'Sr1 Cu1 Tc2'
_cell_volume   75.52
_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
  Sr  Sr0  1  0.77  0.04  0.2  1.0
  Tc  Tc1  1  0.07  0.0  0.42  1.0
  Tc  Tc2  1  0.16  0.0  0.84  1.0
  Cu  Cu3  1  0.84  -0.0  0.16  1.0

Sr Cu Tc Tc
Sr Cu Tc Tc 0 1 o o o 0 2 o o + 0 3 o o + 1 2 o o + 1 3 o o + 