data_[La1Ag2Ge1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0536]
_cell_length_b [6.1737]
_cell_length_c [6.5058]
_cell_angle_alpha [104.4210]
_cell_angle_beta [105.9133]
_cell_angle_gamma [107.3132]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaAg2GeSe4]
_chemical_formula_sum '[La1 Ag2 Ge1 Se4]'
_cell_volume [208.2499]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.0578  0.0355  0.0194  1
  Ag  Ag1  1  0.5037  0.8005  0.3014  1
  Ag  Ag2  1  0.5119  0.2058  0.7042  1
  Ge  Ge3  1  0.9498  0.4776  0.4958  1
  Se  Se4  1  0.0062  0.4994  0.9052  1
  Se  Se5  1  0.0204  0.9081  0.5136  1
  Se  Se6  1  0.3515  0.4687  0.4650  1
  Se  Se7  1  0.5987  0.1044  0.0955  1
]