data_MgBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBiPt2
_chemical_formula_sum   'Mg1 Bi1 Pt2'
_cell_volume   76.5
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.99  0.0  0.0  1.0
  Pt  Pt2  1  0.5  0.78  0.8  1.0
  Pt  Pt3  1  0.5  0.22  0.8  1.0

data_MgBiPt2
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.65
_cell_length_b   3.6
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   99.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MgBiPt2
_chemical_formula_sum   'Mg1 Bi1 Pt2'
_cell_volume   76.5
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.5  0.2  0.78  1.0

Mg Bi Pt Pt