data_[Sr4Ag4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4117]
_cell_length_b [4.3284]
_cell_length_c [7.4210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrAgSe]
_chemical_formula_sum '[Sr4 Ag4 Se4]'
_cell_volume [341.1732]
_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
[
  Sr  Sr0  2  0.2186  0.0000  0.6431  1
  Sr  Sr1  2  0.3664  0.0000  0.2735  1
  Ag  Ag2  2  0.1357  0.5000  0.2268  1
  Ag  Ag3  2  0.4710  0.5000  0.0305  1
  Se  Se4  2  0.2220  0.5000  0.9350  1
  Se  Se5  2  0.3833  0.5000  0.5828  1
]