data_[La4As2S5O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2198]
_cell_length_b [8.3153]
_cell_length_c [9.6950]
_cell_angle_alpha [101.9904]
_cell_angle_beta [102.1127]
_cell_angle_gamma [91.9277]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La4As2S5O4]
_chemical_formula_sum '[La4 As2 S5 O4]'
_cell_volume [324.2950]
_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  0.1837  0.5888  0.3695  1
  La  La1  1  0.1908  0.0921  0.3718  1
  La  La2  1  0.8135  0.4064  0.6319  1
  La  La3  1  0.8185  0.9045  0.6270  1
  As  As4  1  0.4898  0.3600  0.9996  1
  As  As5  1  0.7595  0.7919  0.0003  1
  S  S6  1  0.3762  0.7081  0.7896  1
  S  S7  1  0.4414  0.1709  0.7889  1
  S  S8  1  0.5848  0.8130  0.2103  1
  S  S9  1  0.6522  0.2776  0.2113  1
  S  S10  1  0.9535  0.5324  0.9999  1
  O  O11  1  0.2548  0.8722  0.4964  1
  O  O12  1  0.2562  0.3764  0.5038  1
  O  O13  1  0.7541  0.6224  0.4987  1
  O  O14  1  0.7568  0.1262  0.5011  1
]