data_YScAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScAs2
_chemical_formula_sum   'Y1 Sc1 As2'
_cell_volume   83.72
_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  0.11  0.0  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.56  0.83  0.84  1.0
  As  As1  1  0.56  0.17  0.84  1.0

data_YScAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   99.28
_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   83.72
_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  -0.0  0.11  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.84  0.56  0.83  1.0
  As  As3  1  0.84  0.56  0.17  1.0

Y Sc As As
Y Sc As As 0 1 o o o 2 3 o + o 