data_Mn2RePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   3.67
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2RePt
_chemical_formula_sum   'Mn2 Re1 Pt1'
_cell_volume   52.72
_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  0.33  0.83  0.09  1.0
  Mn  Mn1  1  0.0  0.0  0.15  1.0
  Re  Re3  1  0.0  0.0  0.2  1.0
  Pt  Pt2  1  0.33  0.83  0.64  1.0

data_Mn2RePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.67
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2RePt
_chemical_formula_sum   'Mn2 Re1 Pt1'
_cell_volume   52.72
_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  0.15  1.0
  Mn  Mn1  1  0.33  0.83  0.09  1.0
  Re  Re2  1  0.0  0.0  0.2  1.0
  Pt  Pt3  1  0.33  0.83  0.64  1.0

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