data_FeTc2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   32.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2As
_chemical_formula_sum   'Fe1 Tc2 As1'
_cell_volume   54.07
_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  Fe1  1  0.0  0.0  0.95  1.0
  Tc  Tc2  1  0.98  0.0  0.99  1.0
  Tc  Tc3  1  0.0  0.0  0.47  1.0
  As  As0  1  0.98  0.0  0.76  1.0

data_FeTc2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.96
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2As
_chemical_formula_sum   'Fe1 Tc2 As1'
_cell_volume   54.07
_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  0.05  0.0  0.05  1.0
  Tc  Tc1  1  0.01  0.98  0.01  1.0
  Tc  Tc2  1  0.53  0.0  0.53  1.0
  As  As3  1  0.24  0.98  0.24  1.0

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