data_ReAgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.46
_cell_length_c   2.84
_cell_angle_alpha   83.48
_cell_angle_beta   74.95
_cell_angle_gamma   21.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgAs
_chemical_formula_sum   'Re1 Ag1 As1'
_cell_volume   53.87
_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  0.55  0.38  0.7  1.0
  Ag  Ag0  1  0.55  0.38  0.44  1.0
  As  As1  1  0.55  0.38  0.05  1.0

data_ReAgAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.1
_cell_length_b   14.59
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   123.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReAgAs
_chemical_formula_sum   'Re2 Ag2 As2'
_cell_volume   107.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.05  0.5  0.25  1.0
  Ag  Ag1  2  0.05  0.5  0.99  1.0
  As  As2  2  0.05  0.5  0.6  1.0

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