data_[Ag4Sn4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0605]
_cell_length_b [6.9545]
_cell_length_c [7.2173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgSnSe]
_chemical_formula_sum '[Ag4 Sn4 Se4]'
_cell_volume [315.3556]
_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
[
  Ag  Ag0  4  0.2313  0.7474  0.7720  1.0
  Sn  Sn1  4  0.4085  0.1150  0.2592  1.0
  Se  Se2  4  0.1632  0.1201  0.8303  1.0
]