data_MnGaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   129.77
_cell_angle_beta   127.95
_cell_angle_gamma   75.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaPt2
_chemical_formula_sum   'Mn1 Ga1 Pt2'
_cell_volume   59.69
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.69  1.0
  Pt  Pt2  1  0.0  0.04  0.79  1.0
  Pt  Pt3  1  0.98  0.0  0.9  1.0

data_MnGaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.09
_cell_length_c   4.66
_cell_angle_alpha   116.03
_cell_angle_beta   115.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaPt2
_chemical_formula_sum   'Mn1 Ga1 Pt2'
_cell_volume   59.69
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.69  0.69  1.0
  Pt  Pt2  1  0.0  0.9  0.92  1.0
  Pt  Pt3  1  0.96  0.75  0.75  1.0

Mn Ga Pt Pt
Mn Ga Pt Pt 0 3 - o - 1 2 o o o 