data_Cr2GaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaAg
_chemical_formula_sum   'Cr2 Ga1 Ag1'
_cell_volume   55.88
_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  0.31  0.31  0.23  1.0
  Cr  Cr2  1  0.31  0.31  0.9  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0

data_Cr2GaAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2GaAg
_chemical_formula_sum   'Cr4 Ga2 Ag2'
_cell_volume   111.77
_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
  Cr  Cr0  2  0.31  0.0  0.23  1.0
  Cr  Cr1  2  0.31  0.0  0.9  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Ag  Ag3  2  0.0  0.0  0.07  1.0

Cr Cr Ga Ag
Cr Cr Ga Ag 0 3 o o o 1 2 o o + 2 3 o o o 