data_YMg2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.25
_cell_angle_alpha   109.95
_cell_angle_beta   109.95
_cell_angle_gamma   36.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Tc
_chemical_formula_sum   'Y1 Mg2 Tc1'
_cell_volume   84.76
_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  Y3  1  0.98  0.0  0.36  1.0
  Mg  Mg0  1  0.06  0.0  0.19  1.0
  Mg  Mg1  1  0.52  0.0  0.15  1.0
  Tc  Tc2  1  0.96  0.0  0.65  1.0

data_YMg2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.25
_cell_length_c   5.39
_cell_angle_alpha   109.95
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Tc
_chemical_formula_sum   'Y1 Mg2 Tc1'
_cell_volume   84.76
_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  Y0  1  0.0  0.36  0.98  1.0
  Mg  Mg1  1  0.0  0.15  0.52  1.0
  Mg  Mg2  1  0.0  0.19  0.06  1.0
  Tc  Tc3  1  0.0  0.65  0.96  1.0

Y Mg Mg Tc
Y Mg Mg Tc 0 1 + o o 0 2 o o o 0 3 o o o 1 2 o o o 1 2 - o o 2 3 o o o 