data_NaMn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   117.31
_cell_angle_beta   117.31
_cell_angle_gamma   117.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn3
_chemical_formula_sum   'Na1 Mn3'
_cell_volume   68.4
_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  Na3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.33  0.65  0.91  1.0
  Mn  Mn1  1  0.67  0.65  0.91  1.0
  Mn  Mn2  1  0.0  0.7  0.91  1.0

data_NaMn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   117.31
_cell_angle_beta   99.54
_cell_angle_gamma   99.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn3
_chemical_formula_sum   'Na1 Mn3'
_cell_volume   68.4
_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  0.91  0.24  0.25  1.0
  Mn  Mn2  1  0.91  0.57  0.25  1.0
  Mn  Mn3  1  0.91  0.91  0.21  1.0

Na Mn Mn Mn