data_MgTcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   134.99
_cell_angle_beta   134.99
_cell_angle_gamma   65.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcHg2
_chemical_formula_sum   'Mg1 Tc1 Hg2'
_cell_volume   76.47
_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  Mg2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.06  0.0  0.26  1.0
  Hg  Hg0  1  0.0  0.0  0.52  1.0
  Hg  Hg1  1  0.0  0.06  0.26  1.0

data_MgTcHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.37
_cell_angle_alpha   112.51
_cell_angle_beta   112.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcHg2
_chemical_formula_sum   'Mg1 Tc1 Hg2'
_cell_volume   76.47
_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  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.26  0.2  0.2  1.0
  Hg  Hg2  1  0.2  0.26  0.2  1.0
  Hg  Hg3  1  0.52  0.52  0.52  1.0

Mg Tc Hg Hg
Mg Tc Hg Hg 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 