data_CrTc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Mo
_chemical_formula_sum   'Cr1 Tc2 Mo1'
_cell_volume   57.22
_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  0.04  1.0
  Tc  Tc2  1  0.0  0.0  0.1  1.0
  Tc  Tc3  1  0.52  0.52  0.71  1.0
  Mo  Mo1  1  0.52  0.52  0.59  1.0

data_CrTc2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrTc2Mo
_chemical_formula_sum   'Cr2 Tc4 Mo2'
_cell_volume   114.44
_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
  Cr  Cr0  2  0.0  0.0  0.04  1.0
  Tc  Tc1  2  0.0  0.0  0.1  1.0
  Tc  Tc2  2  0.02  0.5  0.71  1.0
  Mo  Mo3  2  0.02  0.5  0.59  1.0

Cr Tc Tc Mo
Cr Tc Tc Mo 0 1 o o o 2 3 o o o 