data_ReAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.47
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2As
_chemical_formula_sum   'Re1 Ag2 As1'
_cell_volume   68.52
_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
  Re  Re3  1  0.18  0.24  0.1  1.0
  Ag  Ag0  1  0.79  0.0  0.62  1.0
  Ag  Ag1  1  0.47  0.24  0.36  1.0
  As  As2  1  0.34  0.0  0.99  1.0

data_ReAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.47
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2As
_chemical_formula_sum   'Re1 Ag2 As1'
_cell_volume   68.52
_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
  Re  Re0  1  0.18  0.24  0.1  1.0
  Ag  Ag1  1  0.47  0.24  0.36  1.0
  Ag  Ag2  1  0.79  0.0  0.62  1.0
  As  As3  1  0.34  0.0  0.99  1.0

Re Ag Ag As
Re Ag Ag As 0 3 o o - 0 2 o o o 1 2 o o o 