data_SrTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   6.25
_cell_angle_alpha   100.07
_cell_angle_beta   100.07
_cell_angle_gamma   35.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcOs2
_chemical_formula_sum   'Sr1 Tc1 Os2'
_cell_volume   80.78
_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  0.98  0.0  0.07  1.0
  Os  Os0  1  0.62  0.0  0.1  1.0
  Os  Os1  1  0.33  0.0  0.04  1.0

data_SrTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.77
_cell_length_c   6.25
_cell_angle_alpha   100.07
_cell_angle_beta   90.0
_cell_angle_gamma   107.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcOs2
_chemical_formula_sum   'Sr1 Tc1 Os2'
_cell_volume   80.78
_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  0.02  0.93  1.0
  Os  Os2  1  0.0  0.38  0.9  1.0
  Os  Os3  1  0.0  0.67  0.96  1.0

Sr Tc Os Os
Sr Tc Os Os 0 1 - o o 0 3 o o o 2 3 o o o 