data_AlCrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   145.4
_cell_angle_beta   133.89
_cell_angle_gamma   58.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrAg
_chemical_formula_sum   'Al1 Cr1 Ag1'
_cell_volume   49.0
_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
  Al  Al1  1  0.0  0.0  0.78  1.0
  Cr  Cr2  1  0.0  0.0  0.82  1.0
  Ag  Ag0  1  0.0  0.0  0.01  1.0

data_AlCrAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.87
_cell_length_c   4.94
_cell_angle_alpha   113.05
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrAg
_chemical_formula_sum   'Al1 Cr1 Ag1'
_cell_volume   49.0
_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
  Al  Al0  1  0.0  0.78  0.78  1.0
  Cr  Cr1  1  0.0  0.82  0.82  1.0
  Ag  Ag2  1  0.0  0.01  0.01  1.0

Al Cr Ag
Al Cr Ag 0 1 o o o 1 2 o o + 