data_NaMn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   141.97
_cell_angle_beta   127.07
_cell_angle_gamma   67.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Se
_chemical_formula_sum   'Na1 Mn2 Se1'
_cell_volume   75.7
_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  0.6  1.0
  Mn  Mn0  1  0.0  0.0  0.87  1.0
  Mn  Mn1  1  0.76  0.0  0.93  1.0
  Se  Se3  1  0.0  0.4  0.56  1.0

data_NaMn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.8
_cell_length_c   5.39
_cell_angle_alpha   116.47
_cell_angle_beta   109.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Se
_chemical_formula_sum   'Na1 Mn2 Se1'
_cell_volume   75.7
_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  0.4  0.4  0.4  1.0
  Mn  Mn1  1  0.13  0.13  0.13  1.0
  Mn  Mn2  1  0.82  0.07  0.82  1.0
  Se  Se3  1  0.44  0.84  0.84  1.0

Na Mn Mn Se