data_AgBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.23
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   93.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBi2As
_chemical_formula_sum   'Ag1 Bi2 As1'
_cell_volume   105.33
_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
  Ag  Ag0  1  0.34  0.0  0.91  1.0
  Bi  Bi2  1  0.97  0.12  0.09  1.0
  Bi  Bi3  1  0.72  0.12  0.73  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_AgBi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.23
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   93.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBi2As
_chemical_formula_sum   'Ag1 Bi2 As1'
_cell_volume   105.33
_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
  Ag  Ag0  1  0.34  0.0  0.91  1.0
  Bi  Bi1  1  0.72  0.12  0.73  1.0
  Bi  Bi2  1  0.97  0.12  0.09  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ag Bi Bi As
Ag Bi Bi As 0 3 o o + 0 2 o o o 0 2 - o o 1 3 + o o 2 3 + o + 