data_SrCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoTc2
_chemical_formula_sum   'Sr1 Co1 Tc2'
_cell_volume   68.57
_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  0.58  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.29  0.57  0.36  1.0
  Tc  Tc3  1  0.29  0.43  0.36  1.0

data_SrCoTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.16
_cell_length_c   5.51
_cell_angle_alpha   117.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoTc2
_chemical_formula_sum   'Sr1 Co1 Tc2'
_cell_volume   68.57
_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  0.58  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.36  0.43  0.72  1.0
  Tc  Tc3  1  0.36  0.57  0.86  1.0

Sr Co Tc Tc
Sr Co Tc Tc 0 2 o - - 0 2 o - o 0 3 o - o 0 0 o o + 0 1 + o o 1 2 o o o 1 3 o o - 1 3 o o o 1 1 o o + 2 3 o o o 