data_Sc2TlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   132.31
_cell_angle_beta   132.31
_cell_angle_gamma   69.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlOs
_chemical_formula_sum   'Sc2 Tl1 Os1'
_cell_volume   77.14
_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  0.12  0.15  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.12  0.0  0.15  1.0
  Os  Os0  1  0.0  0.0  0.3  1.0

data_Sc2TlOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.24
_cell_angle_alpha   113.85
_cell_angle_beta   113.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlOs
_chemical_formula_sum   'Sc2 Tl1 Os1'
_cell_volume   77.14
_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  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.97  0.12  0.97  1.0
  Tl  Tl2  1  0.85  0.0  0.97  1.0
  Os  Os3  1  0.7  0.0  0.7  1.0

Sc Sc Tl Os