data_[Mn8Ni4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [7.3457]
_cell_length_b [7.3457]
_cell_length_c [10.3197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Mn2NiSe4]
_chemical_formula_sum '[Mn8 Ni4 Se16]'
_cell_volume [556.8507]
_cell_formula_units_Z [4]
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  4  0.0000  0.2541  0.0000  1
  Mn  Mn1  4  0.2525  0.2525  0.3750  1
  Ni  Ni2  4  0.2518  0.5000  0.7500  1
  Se  Se3  8  0.0225  0.2529  0.7583  1
  Se  Se4  8  0.2537  0.4799  0.9902  1
]