data_Sr2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   9.77
_cell_angle_alpha   90.0
_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   138.2
_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  0.88  0.88  0.1  1.0
  Sr  Sr2  1  0.0  0.0  0.97  1.0
  Tc  Tc3  1  0.88  0.88  0.9  1.0
  Br  Br0  1  0.0  0.0  0.45  1.0

data_Sr2TcBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TcBr
_chemical_formula_sum   'Sr4 Tc2 Br2'
_cell_volume   276.4
_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  2  0.0  0.0  0.97  1.0
  Sr  Sr1  2  0.38  0.5  0.1  1.0
  Tc  Tc2  2  0.38  0.5  0.9  1.0
  Br  Br3  2  0.0  0.0  0.45  1.0

Sr Sr Tc Br