data_Sc2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.35
_cell_angle_alpha   101.18
_cell_angle_beta   101.18
_cell_angle_gamma   39.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcOs
_chemical_formula_sum   'Sc2 Tc1 Os1'
_cell_volume   68.67
_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  0.14  0.0  0.31  1.0
  Sc  Sc2  1  0.29  0.0  0.92  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.72  0.0  0.62  1.0

data_Sc2TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.54
_cell_length_c   5.35
_cell_angle_alpha   101.18
_cell_angle_beta   90.0
_cell_angle_gamma   109.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcOs
_chemical_formula_sum   'Sc2 Tc1 Os1'
_cell_volume   68.67
_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  0.71  0.08  1.0
  Sc  Sc1  1  0.0  0.86  0.69  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.28  0.38  1.0

Sc Sc Tc Os