data_YZr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81
_cell_length_b   9.81
_cell_length_c   9.81
_cell_angle_alpha   19.51
_cell_angle_beta   19.51
_cell_angle_gamma   19.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Tc
_chemical_formula_sum   'Y1 Zr2 Tc1'
_cell_volume   92.02
_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  Y1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.0  0.0  0.76  1.0
  Zr  Zr3  1  0.0  0.0  0.1  1.0
  Tc  Tc0  1  0.0  0.0  0.43  1.0

data_YZr2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.32
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZr2Tc
_chemical_formula_sum   'Y2 Zr4 Tc2'
_cell_volume   184.05
_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  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.24  1.0
  Zr  Zr2  2  0.0  0.0  0.9  1.0
  Tc  Tc3  2  0.0  0.0  0.57  1.0

Y Zr Zr Tc