data_image0
_chemical_formula_structural       BiAgS3
_chemical_formula_sum              "Bi1 Ag1 S3"
_cell_length_a       5.058357464075271
_cell_length_b       5.073687107537574
_cell_length_c       5.16223158451701
_cell_angle_alpha    119.25674088949972
_cell_angle_beta     90.04479702895182
_cell_angle_gamma    90.00502956312432

_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
  Bi  Bi1       1.0  0.9938916515599846  0.8441347373193655  0.682803980305389  1.0000
  Ag  Ag1       1.0  0.500861553355268  0.5363933670938595  0.0752711895755621  1.0000
  S   S1        1.0  0.5028593268534143  0.5309689923136065  0.5737868671078558  1.0000
  S   S2        1.0  0.5031173095803734  0.04776645221578707  0.568010148649122  1.0000
  S   S3        1.0  0.0016193576738649548  0.5463343253894238  0.09259502051853873  1.0000