data_MnRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   3.94
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Sn
_chemical_formula_sum   'Mn1 Re2 Sn1'
_cell_volume   63.05
_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  0.35  0.0  0.28  1.0
  Re  Re1  1  0.85  0.97  0.02  1.0
  Re  Re2  1  0.46  0.0  0.17  1.0
  Sn  Sn3  1  0.99  0.97  0.86  1.0

data_MnRe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.94
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Sn
_chemical_formula_sum   'Mn1 Re2 Sn1'
_cell_volume   63.05
_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  0.35  0.0  0.28  1.0
  Re  Re1  1  0.46  0.0  0.17  1.0
  Re  Re2  1  0.85  0.97  0.02  1.0
  Sn  Sn3  1  0.99  0.97  0.86  1.0

Mn Re Re Sn
Mn Re Re Sn 0 2 o o o 1 3 o o - 