data_TaHgMo
_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   148.69
_cell_angle_beta   129.77
_cell_angle_gamma   60.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgMo
_chemical_formula_sum   'Ta1 Hg1 Mo1'
_cell_volume   54.51
_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
  Ta  Ta2  1  0.0  0.0  0.94  1.0
  Hg  Hg0  1  0.0  0.0  0.01  1.0
  Mo  Mo1  1  0.0  0.0  0.97  1.0

data_TaHgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.38
_cell_length_c   5.16
_cell_angle_alpha   115.11
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgMo
_chemical_formula_sum   'Ta1 Hg1 Mo1'
_cell_volume   54.51
_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
  Ta  Ta0  1  0.0  0.94  0.94  1.0
  Hg  Hg1  1  0.0  0.01  0.01  1.0
  Mo  Mo2  1  0.0  0.97  0.97  1.0

Ta Hg Mo