data_image0
_chemical_formula_structural       As2
_chemical_formula_sum              "As2"
_cell_length_a       4.234681417516435
_cell_length_b       4.234681803064192
_cell_length_c       4.234681553239393
_cell_angle_alpha    53.36004428000888
_cell_angle_beta     53.360046901393545
_cell_angle_gamma    53.36004586979842

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  As1       1.0  0.2264573  0.226458312  0.22645645810000004  1.0000
  As  As2       1.0  0.7735432920000005  0.7735420447999999  0.7735425905  1.0000