data_CrNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.85
_cell_angle_alpha   98.51
_cell_angle_beta   98.51
_cell_angle_gamma   34.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Ag
_chemical_formula_sum   'Cr1 Ni2 Ag1'
_cell_volume   51.31
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.53  0.0  0.75  1.0
  Ni  Ni3  1  1.0  0.0  0.04  1.0
  Ag  Ag0  1  0.76  0.0  0.39  1.0

data_CrNi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.34
_cell_length_c   4.85
_cell_angle_alpha   98.51
_cell_angle_beta   90.0
_cell_angle_gamma   107.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Ag
_chemical_formula_sum   'Cr1 Ni2 Ag1'
_cell_volume   51.31
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.96  1.0
  Ni  Ni2  1  0.0  0.47  0.25  1.0
  Ag  Ag3  1  0.0  0.24  0.61  1.0

Cr Ni Ni Ag
Cr Ni Ni Ag 0 2 - o o 0 1 - o - 0 3 - o o 1 1 + - o 1 3 o o o 1 2 o o + 2 3 o o o 3 3 + - o 