data_Cr2ReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   141.59
_cell_angle_beta   127.81
_cell_angle_gamma   66.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReAg
_chemical_formula_sum   'Cr2 Re1 Ag1'
_cell_volume   56.58
_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  0.15  0.9  1.0
  Cr  Cr2  1  0.61  0.0  0.19  1.0
  Re  Re3  1  0.0  0.0  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Cr2ReAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.3
_cell_length_c   4.89
_cell_angle_alpha   116.09
_cell_angle_beta   109.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReAg
_chemical_formula_sum   'Cr2 Re1 Ag1'
_cell_volume   56.58
_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  0.19  0.58  1.0
  Cr  Cr1  1  0.85  0.74  0.74  1.0
  Re  Re2  1  0.0  0.09  0.09  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

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