# generated using pymatgen
data_Mn4NiSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51902482
_cell_length_b   4.71644678
_cell_length_c   20.48721492
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4NiSe5
_chemical_formula_sum   'Mn8 Ni2 Se10'
_cell_volume   340.03231454
_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
  Mn  Mn0  1  0.50000000  0.50000000  0.12089400  1
  Mn  Mn1  1  0.00000000  0.00000000  0.16927400  1
  Mn  Mn2  1  0.50000000  0.50000000  0.33072600  1
  Mn  Mn3  1  0.00000000  0.00000000  0.37910600  1
  Mn  Mn4  1  0.00000000  0.00000000  0.62089400  1
  Mn  Mn5  1  0.50000000  0.50000000  0.66927400  1
  Mn  Mn6  1  0.00000000  0.00000000  0.83072600  1
  Mn  Mn7  1  0.50000000  0.50000000  0.87910600  1
  Ni  Ni8  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni9  1  0.50000000  0.50000000  0.50000000  1
  Se  Se10  1  0.00000000  0.50000000  0.41695200  1
  Se  Se11  1  0.00000000  0.50000000  0.19955200  1
  Se  Se12  1  0.50000000  0.00000000  0.30044800  1
  Se  Se13  1  0.00000000  0.50000000  0.00000000  1
  Se  Se14  1  0.50000000  0.00000000  0.08304800  1
  Se  Se15  1  0.50000000  0.00000000  0.91695200  1
  Se  Se16  1  0.50000000  0.00000000  0.69955200  1
  Se  Se17  1  0.00000000  0.50000000  0.80044800  1
  Se  Se18  1  0.50000000  0.00000000  0.50000000  1
  Se  Se19  1  0.00000000  0.50000000  0.58304800  1
