data_Mn2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.57
_cell_angle_alpha   111.11
_cell_angle_beta   111.11
_cell_angle_gamma   33.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2HgPt
_chemical_formula_sum   'Mn2 Hg1 Pt1'
_cell_volume   59.27
_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
  Mn  Mn1  1  0.34  0.0  0.15  1.0
  Mn  Mn2  1  0.5  0.0  0.94  1.0
  Hg  Hg0  1  0.28  0.0  0.27  1.0
  Pt  Pt3  1  0.82  0.0  0.99  1.0

data_Mn2HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.57
_cell_length_c   5.05
_cell_angle_alpha   111.11
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2HgPt
_chemical_formula_sum   'Mn2 Hg1 Pt1'
_cell_volume   59.27
_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
  Mn  Mn0  1  0.0  0.15  0.34  1.0
  Mn  Mn1  1  0.0  0.94  0.5  1.0
  Hg  Hg2  1  0.0  0.27  0.28  1.0
  Pt  Pt3  1  0.0  0.99  0.82  1.0

Mn Mn Hg Pt
Mn Mn Hg Pt 0 2 o o o 0 1 o o - 1 3 o o o 