data_[La1Ag2Sn1Se4]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8954]
_cell_length_b [4.2494]
_cell_length_c [7.3745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaAg2SnSe4]
_chemical_formula_sum '[La1 Ag2 Sn1 Se4]'
_cell_volume [201.5713]
_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  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.0000  0.5000  1.0
  Ag  Ag2  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2569  0.5000  0.2620  1.0
  Se  Se5  2  0.2617  0.0000  0.7462  1.0
]