data_ScTeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   141.57
_cell_angle_beta   133.76
_cell_angle_gamma   61.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTeOs
_chemical_formula_sum   'Sc1 Te1 Os1'
_cell_volume   58.62
_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  Sc1  1  0.0  0.0  0.7  1.0
  Te  Te2  1  0.0  0.0  0.87  1.0
  Os  Os0  1  0.0  0.0  0.18  1.0

data_ScTeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.0
_cell_length_c   5.09
_cell_angle_alpha   113.12
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTeOs
_chemical_formula_sum   'Sc1 Te1 Os1'
_cell_volume   58.62
_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  0.3  0.3  0.3  1.0
  Te  Te1  1  0.13  0.13  0.13  1.0
  Os  Os2  1  0.82  0.82  0.82  1.0

Sc Te Os
Sc Te Os 0 1 o o o 1 2 o o + 