data_[La4Br1Cl3O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1333]
_cell_length_b [4.1333]
_cell_length_c [14.4102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [La4BrCl3O4]
_chemical_formula_sum '[La4 Br1 Cl3 O4]'
_cell_volume [246.1812]
_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  0.0777  1.0
  La  La1  1  0.0000  0.0000  0.5928  1.0
  La  La2  1  0.5000  0.5000  0.4254  1.0
  La  La3  1  0.5000  0.5000  0.9106  1.0
  Br  Br4  1  0.0000  0.0000  0.3166  1.0
  Cl  Cl5  1  0.0000  0.0000  0.8136  1.0
  Cl  Cl6  1  0.5000  0.5000  0.1731  1.0
  Cl  Cl7  1  0.5000  0.5000  0.6865  1.0
  O  O8  2  0.0000  0.5000  0.5084  1.0
  O  O9  2  0.0000  0.5000  0.9934  1.0
]