data_CoReAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   151.82
_cell_angle_beta   130.81
_cell_angle_gamma   57.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReAg2
_chemical_formula_sum   'Co1 Re1 Ag2'
_cell_volume   61.32
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.88  1.0
  Ag  Ag0  1  0.0  0.32  0.58  1.0
  Ag  Ag1  1  0.36  0.0  0.3  1.0

data_CoReAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.64
_cell_length_c   5.57
_cell_angle_alpha   114.6
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReAg2
_chemical_formula_sum   'Co1 Re1 Ag2'
_cell_volume   61.32
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.12  0.12  0.12  1.0
  Ag  Ag2  1  0.06  0.7  0.06  1.0
  Ag  Ag3  1  0.42  0.74  0.74  1.0

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