data_FeTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.86
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcAs2
_chemical_formula_sum   'Fe1 Tc1 As2'
_cell_volume   59.81
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.58  0.0  0.44  1.0
  As  As0  1  0.58  0.93  0.0  1.0
  As  As1  1  0.0  0.93  0.44  1.0

data_FeTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.86
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcAs2
_chemical_formula_sum   'Fe1 Tc1 As2'
_cell_volume   59.81
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.58  0.0  0.44  1.0
  As  As2  1  -0.0  0.93  0.44  1.0
  As  As3  1  0.58  0.93  0.0  1.0

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