data_Y2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   104.77
_cell_angle_beta   104.77
_cell_angle_gamma   119.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2As
_chemical_formula_sum   'Y4 As2'
_cell_volume   152.37
_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  Y2  1  0.19  0.4  0.0  1.0
  Y  Y3  1  0.4  0.19  0.97  1.0
  Y  Y4  1  0.77  0.19  0.0  1.0
  Y  Y5  1  0.81  0.4  0.97  1.0
  As  As0  1  0.0  0.0  0.45  1.0
  As  As1  1  0.0  0.0  0.48  1.0

data_Y2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   104.77
_cell_angle_beta   104.77
_cell_angle_gamma   119.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2As
_chemical_formula_sum   'Y4 As2'
_cell_volume   152.37
_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  0.15  0.57  0.97  1.0
  Y  Y1  1  0.23  0.81  0.0  1.0
  Y  Y2  1  0.57  0.78  0.97  1.0
  Y  Y3  1  0.81  0.6  0.0  1.0
  As  As4  1  0.45  0.45  0.45  1.0
  As  As5  1  0.48  0.48  0.48  1.0

Y Y Y Y As As
Y Y Y Y As As 0 2 - o o 0 3 - o - 0 1 o o - 1 3 o o o 1 2 o o + 2 3 o o - 4 5 o o o 