data_Sr2TcCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   8.91
_cell_angle_alpha   100.58
_cell_angle_beta   100.58
_cell_angle_gamma   55.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcCl
_chemical_formula_sum   'Sr2 Tc1 Cl1'
_cell_volume   110.67
_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  0.72  0.0  0.23  1.0
  Sr  Sr2  1  0.41  0.0  0.49  1.0
  Tc  Tc3  1  0.56  0.0  0.36  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sr2TcCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.93
_cell_length_c   8.91
_cell_angle_alpha   100.58
_cell_angle_beta   90.0
_cell_angle_gamma   117.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcCl
_chemical_formula_sum   'Sr2 Tc1 Cl1'
_cell_volume   110.67
_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  0.28  0.77  1.0
  Sr  Sr1  1  0.0  0.59  0.51  1.0
  Tc  Tc2  1  0.0  0.44  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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