# generated using pymatgen
data_Mn4NiSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65779445
_cell_length_b   10.65779445
_cell_length_c   10.65779445
_cell_angle_alpha   160.99489221
_cell_angle_beta   154.43302534
_cell_angle_gamma   32.05154958
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4NiSe5
_chemical_formula_sum   'Mn4 Ni1 Se5'
_cell_volume   170.01608190
_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
  Mn  Mn0  1  0.62089400  0.62089400  0.00000000  1.0
  Mn  Mn1  1  0.16927400  0.16927400  0.00000000  1.0
  Mn  Mn2  1  0.83072600  0.83072600  0.00000000  1.0
  Mn  Mn3  1  0.37910600  0.37910600  0.00000000  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.91695200  0.41695200  0.50000000  1.0
  Se  Se6  1  0.69955200  0.19955200  0.50000000  1.0
  Se  Se7  1  0.30044800  0.80044800  0.50000000  1.0
  Se  Se8  1  0.50000000  0.00000000  0.50000000  1.0
  Se  Se9  1  0.08304800  0.58304800  0.50000000  1.0