data_ScSn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   36.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Os
_chemical_formula_sum   'Sc1 Sn2 Os1'
_cell_volume   83.36
_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
  Sc  Sc1  1  0.0  0.0  0.16  1.0
  Sn  Sn2  1  0.41  0.0  0.9  1.0
  Sn  Sn3  1  0.0  0.0  0.97  1.0
  Os  Os0  1  0.41  0.0  0.33  1.0

data_ScSn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.81
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   108.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Os
_chemical_formula_sum   'Sc1 Sn2 Os1'
_cell_volume   83.36
_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
  Sc  Sc0  1  0.84  0.0  0.84  1.0
  Sn  Sn1  1  0.03  0.0  0.03  1.0
  Sn  Sn2  1  0.1  0.41  0.1  1.0
  Os  Os3  1  0.67  0.41  0.67  1.0

Sc Sn Sn Os
Sc Sn Sn Os 0 2 o o - 0 1 o o - 0 3 o o o 1 2 o o o 1 3 o o + 