data_InTcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.12
_cell_length_c   3.05
_cell_angle_alpha   82.24
_cell_angle_beta   73.5
_cell_angle_gamma   24.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTcAs
_chemical_formula_sum   'In1 Tc1 As1'
_cell_volume   59.64
_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  0.71  0.52  0.42  1.0
  Tc  Tc2  1  0.71  0.52  0.8  1.0
  As  As0  1  0.71  0.52  0.4  1.0

data_InTcAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.42
_cell_length_b   13.81
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   124.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InTcAs
_chemical_formula_sum   'In2 Tc2 As2'
_cell_volume   119.27
_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
  In  In0  2  0.34  0.0  0.87  1.0
  Tc  Tc1  2  0.46  0.5  0.48  1.0
  As  As2  2  0.36  0.0  0.89  1.0

In Tc As
In Tc As 0 2 o o o 0 1 o o o 1 2 o o o 