data_[Ag10B4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0136]
_cell_length_b [3.5590]
_cell_length_c [10.6841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5B2Se5]
_chemical_formula_sum '[Ag10 B4 Se10]'
_cell_volume [458.1421]
_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
[
  Ag  Ag0  4  0.1860  0.5000  0.0800  1
  Ag  Ag1  4  0.1903  0.0000  0.6278  1
  Ag  Ag2  2  0.0000  0.5000  0.5000  1
  B  B3  4  0.0055  0.0000  0.7948  1
  Se  Se4  4  0.1047  0.5000  0.7912  1
  Se  Se5  4  0.1418  0.0000  0.3561  1
  Se  Se6  2  0.0000  0.0000  0.0000  1
]