data_YAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   118.34
_cell_angle_beta   118.34
_cell_angle_gamma   92.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAs2
_chemical_formula_sum   'Y2 As4'
_cell_volume   137.52
_cell_formula_units_Z   2
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  Y4  1  0.0  0.0  0.94  1.0
  Y  Y5  1  0.0  0.0  0.98  1.0
  As  As0  1  0.91  0.04  0.0  1.0
  As  As1  1  0.04  0.91  0.96  1.0
  As  As2  1  0.85  0.91  0.0  1.0
  As  As3  1  0.09  0.04  0.96  1.0

data_YAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   92.89
_cell_angle_beta   118.34
_cell_angle_gamma   118.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAs2
_chemical_formula_sum   'Y2 As4'
_cell_volume   137.52
_cell_formula_units_Z   2
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  0.94  0.94  0.94  1.0
  Y  Y1  1  0.98  0.98  0.98  1.0
  As  As2  1  -0.0  0.09  0.96  1.0
  As  As3  1  -0.0  0.15  0.09  1.0
  As  As4  1  0.96  0.87  0.92  1.0
  As  As5  1  0.96  0.92  0.05  1.0

Y Y As As As As