data_Hg2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   155.8
_cell_angle_beta   145.54
_cell_angle_gamma   42.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TeMo
_chemical_formula_sum   'Hg2 Te1 Mo1'
_cell_volume   96.34
_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
  Hg  Hg0  1  0.0  0.21  0.32  1.0
  Hg  Hg1  1  0.57  0.0  0.64  1.0
  Te  Te3  1  0.0  0.0  0.96  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Hg2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.42
_cell_length_c   7.47
_cell_angle_alpha   107.23
_cell_angle_beta   102.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TeMo
_chemical_formula_sum   'Hg2 Te1 Mo1'
_cell_volume   96.34
_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
  Hg  Hg0  1  0.68  0.9  0.9  1.0
  Hg  Hg1  1  0.92  0.36  0.92  1.0
  Te  Te2  1  0.04  0.04  0.04  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Hg Hg Te Mo