data_ScMnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   145.88
_cell_angle_beta   145.88
_cell_angle_gamma   49.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnSb
_chemical_formula_sum   'Sc1 Mn1 Sb1'
_cell_volume   54.22
_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  Sc2  1  0.0  0.0  0.64  1.0
  Mn  Mn0  1  0.0  0.0  0.99  1.0
  Sb  Sb1  1  0.0  0.0  0.65  1.0

data_ScMnSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   114.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMnSb
_chemical_formula_sum   'Sc2 Mn2 Sb2'
_cell_volume   108.44
_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  0.36  1.0
  Mn  Mn1  2  0.0  0.0  0.01  1.0
  Sb  Sb2  2  0.0  0.0  0.35  1.0

Sc Mn Sb