data_SrTcBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   5.25
_cell_angle_alpha   91.81
_cell_angle_beta   91.81
_cell_angle_gamma   36.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcBr2
_chemical_formula_sum   'Sr1 Tc1 Br2'
_cell_volume   141.46
_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
  Tc  Tc3  1  0.28  0.0  0.62  1.0
  Br  Br0  1  0.19  0.0  1.0  1.0
  Br  Br1  1  0.37  0.0  0.25  1.0

data_SrTcBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.25
_cell_length_c   6.71
_cell_angle_alpha   91.81
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcBr2
_chemical_formula_sum   'Sr1 Tc1 Br2'
_cell_volume   141.46
_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
  Tc  Tc1  1  0.0  0.62  0.28  1.0
  Br  Br2  1  0.0  0.25  0.37  1.0
  Br  Br3  1  0.0  1.0  0.19  1.0

Sr Tc Br Br