data_MgBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   134.29
_cell_angle_beta   134.29
_cell_angle_gamma   66.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBiPt2
_chemical_formula_sum   'Mg1 Bi1 Pt2'
_cell_volume   75.31
_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  0.0  0.06  0.22  1.0
  Pt  Pt2  1  0.06  0.0  0.22  1.0
  Pt  Pt3  1  0.0  0.0  0.43  1.0

data_MgBiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.31
_cell_angle_alpha   112.85
_cell_angle_beta   112.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBiPt2
_chemical_formula_sum   'Mg1 Bi1 Pt2'
_cell_volume   75.31
_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  Mg0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.16  0.22  0.16  1.0
  Pt  Pt2  1  0.22  0.16  0.16  1.0
  Pt  Pt3  1  0.43  0.43  0.43  1.0

Mg Bi Pt Pt