data_[Mn4Ni4Se4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.6250]
_cell_length_b [6.4892]
_cell_length_c [9.7781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnNiSeO4]
_chemical_formula_sum '[Mn4 Ni4 Se4 O16]'
_cell_volume [356.9192]
_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  0.2500  0.2500  0.2500  1
  Ni  Ni1  4  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.0000  0.2500  0.6081  1
  O  O3  8  0.0000  0.0515  0.2073  1
  O  O4  8  0.2481  0.2500  0.4970  1
]