data_ZrAg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.36
_cell_length_b   12.36
_cell_length_c   12.36
_cell_angle_alpha   13.87
_cell_angle_beta   13.87
_cell_angle_gamma   13.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg4
_chemical_formula_sum   'Zr1 Ag4'
_cell_volume   94.47
_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
  Zr  Zr4  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.78  1.0
  Ag  Ag1  1  0.0  0.0  0.41  1.0
  Ag  Ag2  1  0.0  0.0  0.31  1.0
  Ag  Ag3  1  0.0  0.0  0.94  1.0

data_ZrAg4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   2.99
_cell_length_c   12.36
_cell_angle_alpha   90.0
_cell_angle_beta   98.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrAg4
_chemical_formula_sum   'Zr2 Ag8'
_cell_volume   188.93
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  -0.0  0.0  0.22  1.0
  Ag  Ag2  2  -0.0  0.0  0.06  1.0
  Ag  Ag3  2  0.0  0.0  0.69  1.0
  Ag  Ag4  2  0.0  0.0  0.59  1.0

Zr Ag Ag Ag Ag
Zr Ag Ag Ag Ag 0 4 o o - 1 4 o o o 2 3 o o o 