data_[La4Sn1As2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6438]
_cell_length_b [4.3660]
_cell_length_c [7.6639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4SnAs2S]
_chemical_formula_sum '[La4 Sn1 As2 S1]'
_cell_volume [241.6226]
_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  2  0.2380  0.0000  0.7399  1.0
  La  La1  2  0.2466  0.5000  0.2557  1.0
  Sn  Sn2  1  0.5000  0.5000  0.0000  1.0
  As  As3  1  0.0000  0.5000  0.5000  1.0
  As  As4  1  0.5000  0.0000  0.5000  1.0
  S  S5  1  0.0000  0.0000  0.0000  1.0
]