data_MnAgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.78
_cell_angle_alpha   100.36
_cell_angle_beta   100.36
_cell_angle_gamma   115.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAgPt2
_chemical_formula_sum   'Mn1 Ag1 Pt2'
_cell_volume   63.99
_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
  Ag  Ag0  1  0.77  0.0  0.0  1.0
  Pt  Pt2  1  0.91  0.21  0.31  1.0
  Pt  Pt3  1  0.91  0.79  0.31  1.0

data_MnAgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   115.83
_cell_angle_beta   100.36
_cell_angle_gamma   100.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAgPt2
_chemical_formula_sum   'Mn1 Ag1 Pt2'
_cell_volume   63.99
_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
  Ag  Ag1  1  0.0  0.77  0.0  1.0
  Pt  Pt2  1  0.31  0.91  0.21  1.0
  Pt  Pt3  1  0.31  0.91  0.79  1.0

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