data_[Cr10Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6164]
_cell_length_b [7.2492]
_cell_length_c [8.4886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr5Se8]
_chemical_formula_sum '[Cr10 Se16]'
_cell_volume [531.6799]
_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
[
  Cr  Cr0  4  0.0000  0.2717  0.5000  1.0
  Cr  Cr1  4  0.2292  0.5000  0.9858  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.2129  0.2437  0.1713  1.0
  Se  Se4  4  0.0207  0.0000  0.3224  1.0
  Se  Se5  4  0.0467  0.5000  0.3330  1.0
]