data_YB2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   36.4
_cell_angle_beta   36.4
_cell_angle_gamma   36.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YB2As
_chemical_formula_sum   'Y1 B2 As1'
_cell_volume   56.81
_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  0.0  0.0  0.32  1.0
  B  B1  1  0.0  0.0  0.12  1.0
  B  B2  1  0.0  0.0  0.77  1.0
  As  As0  1  0.0  0.0  0.29  1.0

data_YB2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   3.53
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   111.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YB2As
_chemical_formula_sum   'Y2 B4 As2'
_cell_volume   113.61
_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  -0.0  0.0  0.68  1.0
  B  B1  2  -0.0  0.0  0.88  1.0
  B  B2  2  -0.0  0.0  0.23  1.0
  As  As3  2  -0.0  0.0  0.71  1.0

Y B B As