data_ReGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   143.78
_cell_angle_beta   124.94
_cell_angle_gamma   67.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGeAs2
_chemical_formula_sum   'Re1 Ge1 As2'
_cell_volume   68.09
_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  0.0  0.42  0.26  1.0
  Ge  Ge2  1  0.0  0.0  0.36  1.0
  As  As0  1  0.0  0.0  0.56  1.0
  As  As1  1  0.62  0.0  0.18  1.0

data_ReGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.83
_cell_length_c   5.23
_cell_angle_alpha   117.53
_cell_angle_beta   108.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGeAs2
_chemical_formula_sum   'Re1 Ge1 As2'
_cell_volume   68.09
_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  0.74  0.16  0.16  1.0
  Ge  Ge1  1  0.64  0.64  0.64  1.0
  As  As2  1  0.44  0.44  0.44  1.0
  As  As3  1  0.44  0.82  0.44  1.0

Re Ge As As