data_YTcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   148.55
_cell_angle_beta   148.55
_cell_angle_gamma   45.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcMo
_chemical_formula_sum   'Y1 Tc1 Mo1'
_cell_volume   57.23
_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
  Y  Y2  1  0.0  0.0  0.65  1.0
  Tc  Tc1  1  0.0  0.0  0.07  1.0
  Mo  Mo0  1  0.0  0.0  0.27  1.0

data_YTcMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   112.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTcMo
_chemical_formula_sum   'Y2 Tc2 Mo2'
_cell_volume   114.45
_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
  Y  Y0  2  0.0  0.0  0.35  1.0
  Tc  Tc1  2  0.0  0.0  0.93  1.0
  Mo  Mo2  2  0.0  0.0  0.73  1.0

Y Tc Mo
Y Tc Mo 0 2 o o o 0 1 o o + 1 2 o o o 