data_ReSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   9.21
_cell_angle_alpha   18.81
_cell_angle_beta   18.81
_cell_angle_gamma   18.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiAs2
_chemical_formula_sum   'Re1 Si1 As2'
_cell_volume   70.99
_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  0.0  0.0  0.72  1.0
  Si  Si3  1  0.0  0.0  0.52  1.0
  As  As0  1  0.0  0.0  0.7  1.0
  As  As1  1  0.0  0.0  0.9  1.0

data_ReSiAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   3.01
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSiAs2
_chemical_formula_sum   'Re2 Si2 As4'
_cell_volume   141.99
_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  0.0  0.0  0.28  1.0
  Si  Si1  2  0.0  0.0  0.48  1.0
  As  As2  2  0.0  0.0  0.3  1.0
  As  As3  2  0.0  0.0  0.1  1.0

Re Si As As
Re Si As As 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 