data_NaMn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   143.85
_cell_angle_beta   128.75
_cell_angle_gamma   64.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Sn
_chemical_formula_sum   'Na1 Mn2 Sn1'
_cell_volume   79.55
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.74  0.0  0.55  1.0
  Mn  Mn1  1  0.0  0.42  0.19  1.0
  Sn  Sn3  1  0.0  0.0  0.74  1.0

data_NaMn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.84
_cell_length_c   5.59
_cell_angle_alpha   115.63
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Sn
_chemical_formula_sum   'Na1 Mn2 Sn1'
_cell_volume   79.55
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.55  0.81  1.0
  Mn  Mn2  1  0.58  0.77  0.77  1.0
  Sn  Sn3  1  0.0  0.74  0.74  1.0

Na Mn Mn Sn
Na Mn Mn Sn 0 2 o o o 0 3 o o - 1 3 + o o 1 2 + o + 2 3 o o - 