data_Mg2ZrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.55
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrTc
_chemical_formula_sum   'Mg2 Zr1 Tc1'
_cell_volume   76.35
_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
  Mg  Mg0  1  0.81  0.27  0.05  1.0
  Mg  Mg1  1  0.83  0.0  0.52  1.0
  Zr  Zr3  1  0.1  0.0  0.21  1.0
  Tc  Tc2  1  0.91  0.27  0.95  1.0

data_Mg2ZrTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.55
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrTc
_chemical_formula_sum   'Mg2 Zr1 Tc1'
_cell_volume   76.35
_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
  Mg  Mg0  1  0.81  0.27  0.05  1.0
  Mg  Mg1  1  0.83  0.0  0.52  1.0
  Zr  Zr2  1  0.1  0.0  0.21  1.0
  Tc  Tc3  1  0.91  0.27  0.95  1.0

Mg Mg Zr Tc