data_Sr2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   34.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcBr
_chemical_formula_sum   'Sr2 Tc1 Br1'
_cell_volume   116.25
_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  0.0  0.0  0.04  1.0
  Sr  Sr2  1  0.69  0.0  0.82  1.0
  Tc  Tc3  1  0.69  0.0  0.78  1.0
  Br  Br0  1  0.0  0.0  0.19  1.0

data_Sr2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.38
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcBr
_chemical_formula_sum   'Sr2 Tc1 Br1'
_cell_volume   116.25
_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  0.18  0.69  0.18  1.0
  Sr  Sr1  1  0.96  0.0  0.96  1.0
  Tc  Tc2  1  0.22  0.69  0.22  1.0
  Br  Br3  1  0.81  0.0  0.81  1.0

Sr Sr Tc Br
Sr Sr Tc Br 0 3 o o o 1 2 o o o 