data_As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.7
_cell_length_c   25.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As
_chemical_formula_sum   As4
_cell_volume   442.55
_cell_formula_units_Z   4
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
  As  As0  1  0.5  0.93  0.27  1.0
  As  As1  1  0.0  0.57  0.27  1.0
  As  As2  1  0.5  0.07  0.18  1.0
  As  As3  1  0.0  0.43  0.18  1.0

As As As As 0 1 o o o 0 1 + o o 0 2 o + o 1 3 o o o 2 3 o o o 2 3 + o o 
data_As
_symmetry_space_group_name_H-M   Pmna
_cell_length_a   3.7
_cell_length_b   25.44
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   53
_chemical_formula_structural   As
_chemical_formula_sum   As4
_cell_volume   442.55
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x+1/2, -y, z+1/2'
  4  'x+1/2, y, -z+1/2'
  5  'x, -y, -z'
  6  '-x, y, z'
  7  '-x+1/2, y, -z+1/2'
  8  'x+1/2, -y, z+1/2'
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
  As  As0  4  0.0  0.45  0.57  1.0
