data_MgGaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.59
_cell_angle_alpha   102.62
_cell_angle_beta   102.62
_cell_angle_gamma   34.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaPt2
_chemical_formula_sum   'Mg1 Ga1 Pt2'
_cell_volume   62.67
_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  0.57  0.0  0.59  1.0
  Ga  Ga0  1  0.26  0.0  0.97  1.0
  Pt  Pt2  1  0.54  0.0  0.23  1.0
  Pt  Pt3  1  0.92  0.0  0.39  1.0

data_MgGaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.59
_cell_length_c   5.0
_cell_angle_alpha   102.62
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaPt2
_chemical_formula_sum   'Mg1 Ga1 Pt2'
_cell_volume   62.67
_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  0.59  0.57  1.0
  Ga  Ga1  1  0.0  0.97  0.26  1.0
  Pt  Pt2  1  0.0  0.23  0.54  1.0
  Pt  Pt3  1  0.0  0.39  0.92  1.0

Mg Ga Pt Pt
Mg Ga Pt Pt 0 2 o o o 0 3 o o o 1 2 o o + 2 3 o o o 