data_YScAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   37.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScAs2
_chemical_formula_sum   'Y1 Sc1 As2'
_cell_volume   89.74
_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
  Y  Y3  1  0.09  0.0  0.38  1.0
  Sc  Sc2  1  0.0  0.0  0.51  1.0
  As  As0  1  0.09  0.0  0.11  1.0
  As  As1  1  0.0  0.0  0.82  1.0

data_YScAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.19
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   108.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScAs2
_chemical_formula_sum   'Y1 Sc1 As2'
_cell_volume   89.74
_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
  Y  Y0  1  0.62  0.09  0.62  1.0
  Sc  Sc1  1  0.49  0.0  0.49  1.0
  As  As2  1  0.18  0.0  0.18  1.0
  As  As3  1  0.89  0.09  0.89  1.0

Y Sc As As