data_[Cu2Ni10Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2610]
_cell_length_b [10.7879]
_cell_length_c [10.2196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuNi5Se12]
_chemical_formula_sum '[Cu2 Ni10 Se24]'
_cell_volume [688.8855]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1
  Ni  Ni1  4  0.0000  0.1671  0.5000  1
  Ni  Ni2  4  0.0000  0.3329  0.0000  1
  Ni  Ni3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.1590  0.3324  0.3802  1
  Se  Se5  8  0.1901  0.1748  0.1249  1
  Se  Se6  4  0.1601  0.0000  0.3830  1
  Se  Se7  4  0.1719  0.5000  0.1200  1
]