data_ReAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.56
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   99.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgAs2
_chemical_formula_sum   'Re1 Ag1 As2'
_cell_volume   72.02
_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  0.49  0.0  0.96  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.19  0.28  0.63  1.0
  As  As2  1  0.46  0.28  0.3  1.0

data_ReAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.56
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   99.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgAs2
_chemical_formula_sum   'Re1 Ag1 As2'
_cell_volume   72.02
_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  0.49  0.0  0.96  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.19  0.28  0.63  1.0
  As  As3  1  0.46  0.28  0.3  1.0

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