data_NaScAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.79
_cell_angle_alpha   99.01
_cell_angle_beta   99.01
_cell_angle_gamma   32.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScAs2
_chemical_formula_sum   'Na1 Sc1 As2'
_cell_volume   81.24
_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
  Na  Na2  1  0.07  0.0  0.84  1.0
  Sc  Sc3  1  0.17  0.0  0.1  1.0
  As  As0  1  0.03  0.0  0.14  1.0
  As  As1  1  0.87  0.0  0.73  1.0

data_NaScAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.79
_cell_length_c   5.64
_cell_angle_alpha   99.01
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScAs2
_chemical_formula_sum   'Na1 Sc1 As2'
_cell_volume   81.24
_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
  Na  Na0  1  0.0  0.84  0.07  1.0
  Sc  Sc1  1  0.0  0.1  0.17  1.0
  As  As2  1  0.0  0.14  0.03  1.0
  As  As3  1  0.0  0.73  0.87  1.0

Na Sc As As