data_ScSnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.88
_cell_length_c   3.61
_cell_angle_alpha   72.75
_cell_angle_beta   71.62
_cell_angle_gamma   35.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnAs
_chemical_formula_sum   'Sc1 Sn1 As1'
_cell_volume   69.42
_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  0.51  0.6  0.65  1.0
  Sn  Sn2  1  0.51  0.6  0.43  1.0
  As  As0  1  0.51  0.6  0.57  1.0

data_ScSnAs
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.61
_cell_length_b   10.64
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   ScSnAs
_chemical_formula_sum   'Sc2 Sn2 As2'
_cell_volume   138.93
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.16  1.0
  Sn  Sn1  2  0.0  0.0  0.94  1.0
  As  As2  2  0.0  0.0  0.08  1.0

Sc Sn As
Sc Sn As 0 2 o o o 1 2 o o o 