data_Re2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   31.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AgAs
_chemical_formula_sum   'Re2 Ag1 As1'
_cell_volume   64.64
_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  Re2  1  0.15  0.0  0.92  1.0
  Re  Re3  1  0.0  0.0  0.06  1.0
  Ag  Ag0  1  0.15  0.0  0.58  1.0
  As  As1  1  0.0  0.0  0.67  1.0

data_Re2AgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.3
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AgAs
_chemical_formula_sum   'Re2 Ag1 As1'
_cell_volume   64.64
_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  0.08  0.15  0.08  1.0
  Re  Re1  1  0.94  0.0  0.94  1.0
  Ag  Ag2  1  0.42  0.15  0.42  1.0
  As  As3  1  0.33  0.0  0.33  1.0

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