data_Sc2Ta2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   151.67
_cell_angle_beta   151.67
_cell_angle_gamma   40.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ta2Os
_chemical_formula_sum   'Sc2 Ta2 Os1'
_cell_volume   99.7
_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  0.44  1.0
  Sc  Sc2  1  0.0  0.0  0.87  1.0
  Ta  Ta3  1  0.0  0.87  0.58  1.0
  Ta  Ta4  1  0.87  0.0  0.58  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Sc2Ta2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   110.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2Ta2Os
_chemical_formula_sum   'Sc4 Ta4 Os2'
_cell_volume   199.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.13  1.0
  Sc  Sc1  2  0.0  0.0  0.56  1.0
  Ta  Ta2  4  0.43  0.43  0.29  1.0
  Os  Os3  2  0.0  0.0  0.0  1.0

Sc Sc Ta Ta Os