data_MgZnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.58
_cell_angle_alpha   106.84
_cell_angle_beta   106.84
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnPt2
_chemical_formula_sum   'Mg1 Zn1 Pt2'
_cell_volume   62.0
_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  0.98  0.0  0.8  1.0
  Zn  Zn3  1  0.18  0.0  0.5  1.0
  Pt  Pt1  1  0.61  0.0  0.3  1.0
  Pt  Pt2  1  0.49  0.0  0.96  1.0

data_MgZnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.58
_cell_length_c   5.08
_cell_angle_alpha   106.84
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnPt2
_chemical_formula_sum   'Mg1 Zn1 Pt2'
_cell_volume   62.0
_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  0.8  0.98  1.0
  Zn  Zn1  1  0.0  0.5  0.18  1.0
  Pt  Pt2  1  0.0  0.3  0.61  1.0
  Pt  Pt3  1  0.0  0.96  0.49  1.0

Mg Zn Pt Pt
Mg Zn Pt Pt 0 1 + o o 1 3 o o o 2 3 o o - 