data_Zn2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AgSb
_chemical_formula_sum   'Zn2 Ag1 Sb1'
_cell_volume   77.17
_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
  Zn  Zn2  1  0.46  0.91  0.58  1.0
  Zn  Zn3  1  0.46  0.09  0.58  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.93  0.0  0.0  1.0

data_Zn2AgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   109.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AgSb
_chemical_formula_sum   'Zn2 Ag1 Sb1'
_cell_volume   77.17
_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
  Zn  Zn0  1  0.58  0.46  0.91  1.0
  Zn  Zn1  1  0.58  0.46  0.09  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  -0.0  0.93  0.0  1.0

Zn Zn Ag Sb
Zn Zn Ag Sb 0 1 o + o 2 3 - o o 