data_SrCu2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   129.41
_cell_angle_beta   112.56
_cell_angle_gamma   88.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Tc
_chemical_formula_sum   'Sr1 Cu2 Tc1'
_cell_volume   84.55
_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  Sr2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.77  0.39  1.0
  Cu  Cu1  1  0.14  0.0  0.17  1.0
  Tc  Tc3  1  0.0  0.0  0.57  1.0

data_SrCu2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   67.44
_cell_angle_beta   64.71
_cell_angle_gamma   64.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Tc
_chemical_formula_sum   'Sr1 Cu2 Tc1'
_cell_volume   84.55
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.04  0.14  0.83  1.0
  Cu  Cu2  1  0.39  -0.0  0.38  1.0
  Tc  Tc3  1  0.57  0.0  0.43  1.0

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