data_In2TcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   133.07
_cell_angle_beta   133.07
_cell_angle_gamma   68.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcAs
_chemical_formula_sum   'In2 Tc1 As1'
_cell_volume   77.21
_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
  In  In1  1  0.1  0.0  0.18  1.0
  In  In2  1  0.0  0.0  0.36  1.0
  Tc  Tc3  1  0.0  0.1  0.18  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_In2TcAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.28
_cell_angle_alpha   113.46
_cell_angle_beta   113.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcAs
_chemical_formula_sum   'In2 Tc1 As1'
_cell_volume   77.21
_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
  In  In0  1  0.64  0.0  0.64  1.0
  In  In1  1  0.82  0.0  0.92  1.0
  Tc  Tc2  1  0.92  0.1  0.92  1.0
  As  As3  1  0.0  0.0  0.0  1.0

In In Tc As