data_InHg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2As
_chemical_formula_sum   'In1 Hg2 As1'
_cell_volume   101.53
_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
  In  In3  1  0.96  0.0  0.97  1.0
  Hg  Hg1  1  0.96  0.0  0.13  1.0
  Hg  Hg2  1  0.0  0.0  0.8  1.0
  As  As0  1  0.0  0.0  0.74  1.0

data_InHg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2As
_chemical_formula_sum   'In1 Hg2 As1'
_cell_volume   101.53
_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
  In  In0  1  0.96  0.0  0.97  1.0
  Hg  Hg1  1  0.0  0.0  0.8  1.0
  Hg  Hg2  1  0.96  0.0  0.13  1.0
  As  As3  1  0.0  0.0  0.74  1.0

In Hg Hg As
In Hg Hg As 0 2 + o o 0 1 o o + 2 3 o o o 