data_ScTeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   24.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTeOs2
_chemical_formula_sum   'Sc1 Te1 Os2'
_cell_volume   76.83
_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
  Sc  Sc2  1  0.0  0.0  0.64  1.0
  Te  Te3  1  0.92  0.0  0.31  1.0
  Os  Os0  1  0.0  0.0  0.5  1.0
  Os  Os1  1  0.92  0.0  0.72  1.0

data_ScTeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.84
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   102.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTeOs2
_chemical_formula_sum   'Sc1 Te1 Os2'
_cell_volume   76.83
_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
  Sc  Sc0  1  0.36  0.0  0.36  1.0
  Te  Te1  1  0.69  0.92  0.69  1.0
  Os  Os2  1  0.28  0.92  0.28  1.0
  Os  Os3  1  0.5  0.0  0.5  1.0

Sc Te Os Os