data_Y3As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3As5
_chemical_formula_sum   'Y3 As5'
_cell_volume   177.68
_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  Y5  1  0.57  0.0  0.0  1.0
  Y  Y6  1  0.57  0.24  0.66  1.0
  Y  Y7  1  0.57  0.76  0.66  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.79  0.33  0.0  1.0
  As  As2  1  0.79  0.67  0.0  1.0
  As  As3  1  0.31  0.0  0.66  1.0
  As  As4  1  0.84  0.0  0.66  1.0

data_Y3As5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   105.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3As5
_chemical_formula_sum   'Y3 As5'
_cell_volume   177.68
_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  0.57  0.0  1.0
  Y  Y1  1  0.66  0.57  0.24  1.0
  Y  Y2  1  0.66  0.57  0.76  1.0
  As  As3  1  0.0  0.0  0.0  1.0
  As  As4  1  0.0  0.79  0.33  1.0
  As  As5  1  0.0  0.79  0.67  1.0
  As  As6  1  0.66  0.31  0.0  1.0
  As  As7  1  0.66  0.84  0.0  1.0

Y Y Y As As As As As
Y Y Y As As As As As 0 6 o o - 0 1 o o - 0 2 o - - 0 5 o - o 0 7 o o - 0 3 + o o 0 4 o o o 1 6 o o o 1 4 o o + 2 7 o + o 2 5 o o + 3 5 - - o 3 7 - o - 4 5 o o o 