data_ZrCr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2Ag
_chemical_formula_sum   'Zr1 Cr2 Ag1'
_cell_volume   63.67
_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  Zr3  1  0.0  0.0  0.41  1.0
  Cr  Cr1  1  0.0  0.0  0.34  1.0
  Cr  Cr2  1  0.48  0.48  0.46  1.0
  Ag  Ag0  1  0.48  0.48  0.71  1.0

data_ZrCr2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCr2Ag
_chemical_formula_sum   'Zr2 Cr4 Ag2'
_cell_volume   127.35
_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  0.41  1.0
  Cr  Cr1  2  0.0  0.0  0.34  1.0
  Cr  Cr2  2  0.48  0.0  0.46  1.0
  Ag  Ag3  2  0.48  0.0  0.71  1.0

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