data_TiCrAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   4.67
_cell_angle_alpha   100.72
_cell_angle_beta   100.72
_cell_angle_gamma   31.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrAg2
_chemical_formula_sum   'Ti1 Cr1 Ag2'
_cell_volume   63.39
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.47  0.0  0.29  1.0
  Ag  Ag0  1  0.23  0.0  0.17  1.0
  Ag  Ag1  1  0.72  0.0  0.41  1.0

data_TiCrAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.67
_cell_length_c   5.12
_cell_angle_alpha   100.72
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrAg2
_chemical_formula_sum   'Ti1 Cr1 Ag2'
_cell_volume   63.39
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.29  0.47  1.0
  Ag  Ag2  1  0.0  0.17  0.23  1.0
  Ag  Ag3  1  0.0  0.41  0.72  1.0

Ti Cr Ag Ag
Ti Cr Ag Ag 0 2 o o o 1 2 o o o 1 3 o o o 