data_Sr2ZnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   122.97
_cell_angle_beta   122.97
_cell_angle_gamma   84.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnTc
_chemical_formula_sum   'Sr2 Zn1 Tc1'
_cell_volume   109.5
_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  0.61  0.01  1.0
  Sr  Sr1  1  0.61  0.0  0.01  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.03  1.0

data_Sr2ZnTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   132.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ZnTc
_chemical_formula_sum   'Sr4 Zn2 Tc2'
_cell_volume   219.01
_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
  Sr  Sr0  4  0.2  0.2  0.41  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.03  1.0

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