data_ZnReAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   2.66
_cell_angle_alpha   101.34
_cell_angle_beta   101.34
_cell_angle_gamma   120.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReAg2
_chemical_formula_sum   'Zn1 Re1 Ag2'
_cell_volume   64.75
_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  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.74  0.0  0.0  1.0
  Ag  Ag0  1  0.84  0.42  0.22  1.0
  Ag  Ag1  1  0.84  0.58  0.22  1.0

data_ZnReAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   5.05
_cell_length_c   5.56
_cell_angle_alpha   115.6
_cell_angle_beta   101.34
_cell_angle_gamma   95.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReAg2
_chemical_formula_sum   'Zn1 Re1 Ag2'
_cell_volume   64.75
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  -0.0  0.0  0.74  1.0
  Ag  Ag2  1  0.64  0.42  0.26  1.0
  Ag  Ag3  1  0.8  0.58  0.42  1.0

Zn Re Ag Ag
Zn Re Ag Ag 0 1 - o o 2 3 o o o 