data_[Mn5Se5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [18.6337]
_cell_length_b [3.3004]
_cell_length_c [18.6337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnSe]
_chemical_formula_sum '[Mn5 Se5]'
_cell_volume [992.4170]
_cell_formula_units_Z [5]
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  0.3621  0.5000  0.8270  1
  Mn  Mn1  1  0.4252  0.5000  0.9892  1
  Mn  Mn2  1  0.5186  0.5000  0.9202  1
  Mn  Mn3  1  0.5679  0.0000  0.0510  1
  Mn  Mn4  1  0.5744  0.5000  0.1707  1
  Se  Se5  1  0.3104  0.0000  0.8880  1
  Se  Se6  1  0.4511  0.0000  0.8055  1
  Se  Se7  1  0.4617  0.0000  0.1071  1
  Se  Se8  1  0.6505  0.5000  0.0328  1
  Se  Se9  1  0.6782  0.0000  0.2083  1
]