data_NaMnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.84
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnSb2
_chemical_formula_sum   'Na1 Mn1 Sb2'
_cell_volume   93.72
_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
  Na  Na1  1  0.0  0.0  0.78  1.0
  Mn  Mn0  1  0.61  0.42  0.71  1.0
  Sb  Sb2  1  0.61  0.42  0.72  1.0
  Sb  Sb3  1  0.0  0.0  0.88  1.0

data_NaMnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.84
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnSb2
_chemical_formula_sum   'Na1 Mn1 Sb2'
_cell_volume   93.72
_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
  Na  Na0  1  0.0  0.0  0.78  1.0
  Mn  Mn1  1  0.61  0.42  0.71  1.0
  Sb  Sb2  1  0.0  0.0  0.88  1.0
  Sb  Sb3  1  0.61  0.42  0.72  1.0

Na Mn Sb Sb
Na Mn Sb Sb 0 3 o o o 1 2 o o o 