data_YScAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   144.39
_cell_angle_beta   144.39
_cell_angle_gamma   51.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScAs
_chemical_formula_sum   'Y1 Sc1 As1'
_cell_volume   69.4
_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  Y2  1  0.0  0.0  0.97  1.0
  Sc  Sc1  1  0.0  0.0  0.87  1.0
  As  As0  1  0.0  0.0  0.45  1.0

data_YScAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   115.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YScAs
_chemical_formula_sum   'Y2 Sc2 As2'
_cell_volume   138.81
_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
  Y  Y0  2  0.47  0.5  0.97  1.0
  Sc  Sc1  2  0.37  0.5  0.87  1.0
  As  As2  2  0.45  0.0  0.45  1.0

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