data_Y5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   8.41
_cell_angle_alpha   93.5
_cell_angle_beta   93.5
_cell_angle_gamma   151.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5As4
_chemical_formula_sum   'Y5 As4'
_cell_volume   276.43
_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  Y4  1  0.0  0.0  0.0  1.0
  Y  Y5  1  0.87  0.87  0.0  1.0
  Y  Y6  1  0.89  0.89  0.08  1.0
  Y  Y7  1  0.11  0.89  0.08  1.0
  Y  Y8  1  0.89  0.11  0.08  1.0
  As  As0  1  0.0  0.85  0.0  1.0
  As  As1  1  0.0  0.68  0.0  1.0
  As  As2  1  0.85  0.0  0.0  1.0
  As  As3  1  0.68  0.0  0.0  1.0

data_Y5As4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   16.3
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y5As4
_chemical_formula_sum   'Y10 As8'
_cell_volume   552.85
_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  4  0.0  0.11  0.92  1.0
  Y  Y1  2  0.0  0.0  0.0  1.0
  Y  Y2  2  0.11  0.0  0.92  1.0
  Y  Y3  2  0.13  0.0  0.0  1.0
  As  As4  4  0.08  0.08  0.0  1.0
  As  As5  4  0.16  0.16  0.0  1.0

Y Y Y Y Y As As As As
Y Y Y Y Y As As As As 0 1 - - o 1 2 o o o 3 5 o o o 3 6 o o o 4 7 o o o 4 8 o o o 