data_HgMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   137.95
_cell_angle_beta   137.95
_cell_angle_gamma   60.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoAs2
_chemical_formula_sum   'Hg1 Mo1 As2'
_cell_volume   74.25
_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  Hg2  1  0.98  0.0  0.37  1.0
  Mo  Mo3  1  0.0  0.0  0.75  1.0
  As  As0  1  0.0  0.98  0.37  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_HgMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.51
_cell_angle_alpha   111.03
_cell_angle_beta   111.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoAs2
_chemical_formula_sum   'Hg1 Mo1 As2'
_cell_volume   74.25
_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  0.37  0.4  0.4  1.0
  Mo  Mo1  1  0.75  0.75  0.75  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.4  0.37  0.4  1.0

Hg Mo As As