data_FeTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.37
_cell_angle_alpha   102.87
_cell_angle_beta   102.87
_cell_angle_gamma   39.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcAs2
_chemical_formula_sum   'Fe1 Tc1 As2'
_cell_volume   56.16
_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  0.77  0.0  0.74  1.0
  Tc  Tc3  1  0.4  0.0  0.48  1.0
  As  As0  1  0.59  0.0  0.02  1.0
  As  As1  1  0.17  0.0  0.39  1.0

data_FeTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.37
_cell_length_c   4.57
_cell_angle_alpha   102.87
_cell_angle_beta   109.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcAs2
_chemical_formula_sum   'Fe1 Tc1 As2'
_cell_volume   56.16
_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  0.74  0.77  1.0
  Tc  Tc1  1  0.0  0.48  0.4  1.0
  As  As2  1  0.0  0.02  0.59  1.0
  As  As3  1  0.0  0.39  0.17  1.0

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