data_Sc2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.21
_cell_angle_alpha   103.9
_cell_angle_beta   103.9
_cell_angle_gamma   40.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnAs
_chemical_formula_sum   'Sc2 Sn1 As1'
_cell_volume   87.08
_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  0.98  0.0  0.28  1.0
  Sc  Sc2  1  0.95  0.0  0.84  1.0
  Sn  Sn3  1  0.88  0.0  0.32  1.0
  As  As0  1  0.82  0.0  0.67  1.0

data_Sc2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.21
_cell_length_c   5.77
_cell_angle_alpha   103.9
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnAs
_chemical_formula_sum   'Sc2 Sn1 As1'
_cell_volume   87.08
_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  0.28  0.98  1.0
  Sc  Sc1  1  0.0  0.84  0.95  1.0
  Sn  Sn2  1  0.0  0.32  0.88  1.0
  As  As3  1  0.0  0.67  0.82  1.0

Sc Sc Sn As