data_CrInTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.68
_cell_angle_alpha   109.21
_cell_angle_beta   109.21
_cell_angle_gamma   34.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInTc2
_chemical_formula_sum   'Cr1 In1 Tc2'
_cell_volume   61.95
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.93  0.0  0.2  1.0
  Tc  Tc2  1  0.52  0.0  0.94  1.0
  Tc  Tc3  1  0.34  0.0  0.45  1.0

data_CrInTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.68
_cell_length_c   4.96
_cell_angle_alpha   109.21
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInTc2
_chemical_formula_sum   'Cr1 In1 Tc2'
_cell_volume   61.95
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.2  0.93  1.0
  Tc  Tc2  1  0.0  0.45  0.34  1.0
  Tc  Tc3  1  0.0  0.94  0.52  1.0

Cr In Tc Tc
Cr In Tc Tc 0 1 - o o 0 2 - o - 0 3 o o o 1 2 o o - 1 3 + o o 2 3 o o o 