data_ReTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcAs2
_chemical_formula_sum   'Re1 Tc1 As2'
_cell_volume   69.95
_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  0.45  0.0  0.83  1.0
  Tc  Tc3  1  0.0  0.0  0.61  1.0
  As  As0  1  0.45  0.0  0.48  1.0
  As  As1  1  0.0  0.0  0.02  1.0

data_ReTcAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.83
_cell_length_b   4.97
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTcAs2
_chemical_formula_sum   'Re2 Tc2 As4'
_cell_volume   139.95
_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
  Tc  Tc0  2  0.0  0.0  0.61  1.0
  Re  Re1  2  0.45  0.0  0.83  1.0
  As  As2  2  0.0  0.0  0.02  1.0
  As  As3  2  0.45  0.0  0.48  1.0

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