data_AgBi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   131.31
_cell_angle_beta   131.31
_cell_angle_gamma   71.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBi2Se
_chemical_formula_sum   'Ag1 Bi2 Se1'
_cell_volume   104.65
_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  0.0  0.0  0.67  1.0
  Bi  Bi1  1  0.0  0.37  0.33  1.0
  Bi  Bi2  1  0.37  0.0  0.33  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_AgBi2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   125.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgBi2Se
_chemical_formula_sum   'Ag2 Bi4 Se2'
_cell_volume   209.3
_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
  Ag  Ag0  2  0.0  0.0  0.67  1.0
  Bi  Bi1  4  0.32  0.32  0.97  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Ag Bi Bi Se
Ag Bi Bi Se 0 3 o o + 1 3 o o o 2 3 o o o 