data_Cu2HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   2.62
_cell_angle_alpha   100.46
_cell_angle_beta   100.46
_cell_angle_gamma   114.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgMo
_chemical_formula_sum   'Cu2 Hg1 Mo1'
_cell_volume   62.74
_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
  Cu  Cu0  1  0.98  0.23  0.24  1.0
  Cu  Cu1  1  0.98  0.77  0.24  1.0
  Hg  Hg2  1  0.85  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Cu2HgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   114.87
_cell_angle_beta   100.46
_cell_angle_gamma   100.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgMo
_chemical_formula_sum   'Cu2 Hg1 Mo1'
_cell_volume   62.74
_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
  Cu  Cu0  1  0.24  0.98  0.23  1.0
  Cu  Cu1  1  0.24  0.98  0.77  1.0
  Hg  Hg2  1  0.0  0.85  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Cu Cu Hg Mo