data_Sr2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcP
_chemical_formula_sum   'Sr2 Tc1 P1'
_cell_volume   99.4
_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  0.69  0.13  0.73  1.0
  Sr  Sr2  1  0.69  0.87  0.73  1.0
  Tc  Tc3  1  0.38  0.0  0.0  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Sr2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   103.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcP
_chemical_formula_sum   'Sr2 Tc1 P1'
_cell_volume   99.4
_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  0.73  0.69  0.13  1.0
  Sr  Sr1  1  0.73  0.69  0.87  1.0
  Tc  Tc2  1  0.0  0.38  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Sr Sr Tc P
Sr Sr Tc P 0 1 o - o 0 2 o o + 0 3 + o + 1 2 o + + 1 3 + + + 2 3 o o o 