data_ScAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   20.62
_cell_angle_beta   20.62
_cell_angle_gamma   20.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAgAs2
_chemical_formula_sum   'Sc1 Ag1 As2'
_cell_volume   78.91
_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  Sc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.19  1.0
  As  As1  1  0.0  0.0  0.67  1.0
  As  As2  1  0.0  0.0  0.72  1.0

data_ScAgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   3.22
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   101.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScAgAs2
_chemical_formula_sum   'Sc2 Ag2 As4'
_cell_volume   157.81
_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  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.81  1.0
  As  As2  2  -0.0  0.0  0.28  1.0
  As  As3  2  -0.0  0.0  0.33  1.0

Sc Ag As As