data_Cr2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   146.22
_cell_angle_beta   129.28
_cell_angle_gamma   62.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcHg
_chemical_formula_sum   'Cr2 Tc1 Hg1'
_cell_volume   58.41
_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
  Cr  Cr0  1  0.5  0.0  0.15  1.0
  Cr  Cr1  1  0.0  0.0  0.95  1.0
  Tc  Tc3  1  0.0  0.0  0.83  1.0
  Hg  Hg2  1  0.5  0.0  0.32  1.0

data_Cr2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.42
_cell_length_c   5.16
_cell_angle_alpha   115.36
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcHg
_chemical_formula_sum   'Cr2 Tc1 Hg1'
_cell_volume   58.41
_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
  Cr  Cr0  1  0.0  0.15  0.65  1.0
  Cr  Cr1  1  0.0  0.95  0.95  1.0
  Tc  Tc2  1  0.0  0.83  0.83  1.0
  Hg  Hg3  1  0.0  0.32  0.82  1.0

Cr Cr Tc Hg