data_CaHg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.01
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHg2Pt
_chemical_formula_sum   'Ca1 Hg2 Pt1'
_cell_volume   97.61
_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
  Ca  Ca0  1  0.28  0.0  0.23  1.0
  Hg  Hg1  1  0.24  0.01  0.1  1.0
  Hg  Hg2  1  0.21  0.0  0.43  1.0
  Pt  Pt3  1  0.27  0.01  0.41  1.0

data_CaHg2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.98
_cell_length_b   4.01
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaHg2Pt
_chemical_formula_sum   'Ca1 Hg2 Pt1'
_cell_volume   97.61
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ca  Ca0  1  0.28  0.0  0.23  1.0
  Hg  Hg1  1  0.21  0.0  0.43  1.0
  Hg  Hg2  1  0.24  0.0  0.1  1.0
  Pt  Pt3  1  0.27  0.0  0.41  1.0

Ca Hg Hg Pt