data_MnPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   3.82
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPt3
_chemical_formula_sum   'Mn1 Pt3'
_cell_volume   58.03
_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
  Pt  Pt1  1  0.0  0.0  0.77  1.0
  Pt  Pt2  1  0.37  0.91  0.31  1.0
  Pt  Pt3  1  0.37  0.91  0.24  1.0

data_MnPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.82
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPt3
_chemical_formula_sum   'Mn1 Pt3'
_cell_volume   58.03
_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
  Pt  Pt1  1  0.0  0.0  0.77  1.0
  Pt  Pt2  1  0.37  0.91  0.24  1.0
  Pt  Pt3  1  0.37  0.91  0.31  1.0

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