data_LaHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgAs2
_chemical_formula_sum   'La1 Hg1 As2'
_cell_volume   110.98
_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
  La  La3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.45  1.0
  As  As0  1  0.72  0.0  0.24  1.0
  As  As1  1  0.72  0.0  0.66  1.0

data_LaHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgAs2
_chemical_formula_sum   'La1 Hg1 As2'
_cell_volume   110.98
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.45  1.0
  As  As2  1  0.72  0.0  0.24  1.0
  As  As3  1  0.72  0.0  0.66  1.0

La Hg As As
La Hg As As 0 2 - o o 1 2 - o o 1 3 - o o 