data_AgSb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   4.37
_cell_angle_alpha   93.76
_cell_angle_beta   93.76
_cell_angle_gamma   30.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb2Se
_chemical_formula_sum   'Ag1 Sb2 Se1'
_cell_volume   107.46
_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  0.47  0.0  0.88  1.0
  Sb  Sb1  1  0.47  0.0  0.31  1.0
  Sb  Sb2  1  0.69  0.0  0.64  1.0
  Se  Se3  1  0.17  0.0  0.71  1.0

data_AgSb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.37
_cell_length_c   6.99
_cell_angle_alpha   93.76
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb2Se
_chemical_formula_sum   'Ag1 Sb2 Se1'
_cell_volume   107.46
_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  0.88  0.47  1.0
  Sb  Sb1  1  0.0  0.31  0.47  1.0
  Sb  Sb2  1  0.0  0.64  0.69  1.0
  Se  Se3  1  0.0  0.71  0.17  1.0

Ag Sb Sb Se