# generated using pymatgen
data_Nd4MnSe6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71456022
_cell_length_b   9.71456022
_cell_length_c   7.04739200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4MnSe6O
_chemical_formula_sum   'Nd8 Mn2 Se12 O2'
_cell_volume   575.97726834
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.33333300  0.66666700  0.29351100  1.0
  Nd  Nd1  1  0.66666700  0.33333300  0.79351100  1.0
  Nd  Nd2  1  0.79884200  0.20115800  0.33884700  1.0
  Nd  Nd3  1  0.59768500  0.79884200  0.83884700  1.0
  Nd  Nd4  1  0.20115800  0.40231500  0.83884700  1.0
  Nd  Nd5  1  0.79884200  0.59768500  0.33884700  1.0
  Nd  Nd6  1  0.40231500  0.20115800  0.33884700  1.0
  Nd  Nd7  1  0.20115800  0.79884200  0.83884700  1.0
  Mn  Mn8  1  0.00000000  0.00000000  0.50231200  1.0
  Mn  Mn9  1  0.00000000  0.00000000  0.00231200  1.0
  Se  Se10  1  0.46889400  0.93778700  0.55549000  1.0
  Se  Se11  1  0.53110600  0.06221300  0.05549000  1.0
  Se  Se12  1  0.93778700  0.46889400  0.05549000  1.0
  Se  Se13  1  0.46889400  0.53110600  0.55549000  1.0
  Se  Se14  1  0.06221300  0.53110600  0.55549000  1.0
  Se  Se15  1  0.53110600  0.46889400  0.05549000  1.0
  Se  Se16  1  0.87200500  0.12799500  0.73495500  1.0
  Se  Se17  1  0.74400900  0.87200500  0.23495500  1.0
  Se  Se18  1  0.12799500  0.25599100  0.23495500  1.0
  Se  Se19  1  0.87200500  0.74400900  0.73495500  1.0
  Se  Se20  1  0.25599100  0.12799500  0.73495500  1.0
  Se  Se21  1  0.12799500  0.87200500  0.23495500  1.0
  O  O22  1  0.33333300  0.66666700  0.95814200  1.0
  O  O23  1  0.66666700  0.33333300  0.45814200  1.0