data_ScSn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.07
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2As
_chemical_formula_sum   'Sc1 Sn2 As1'
_cell_volume   93.61
_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  0.0  1.0
  Sn  Sn2  1  0.94  0.03  0.44  1.0
  Sn  Sn3  1  0.07  0.03  0.27  1.0
  As  As0  1  0.49  0.0  0.85  1.0

data_ScSn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.07
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2As
_chemical_formula_sum   'Sc1 Sn2 As1'
_cell_volume   93.61
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.07  0.03  0.27  1.0
  Sn  Sn2  1  0.94  0.03  0.44  1.0
  As  As3  1  0.49  0.0  0.85  1.0

Sc Sn Sn As