data_SrBeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45
_cell_length_b   9.45
_cell_length_c   9.45
_cell_angle_alpha   17.34
_cell_angle_beta   17.34
_cell_angle_gamma   17.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeTc2
_chemical_formula_sum   'Sr1 Be1 Tc2'
_cell_volume   65.36
_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  0.95  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.44  1.0
  Tc  Tc3  1  0.0  0.0  0.46  1.0

data_SrBeTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrBeTc2
_chemical_formula_sum   'Sr2 Be2 Tc4'
_cell_volume   130.73
_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  0.05  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.54  1.0
  Tc  Tc3  2  0.0  0.0  0.56  1.0

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