data_[La4Cu1Si1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6198]
_cell_length_b [4.3074]
_cell_length_c [7.6546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4CuSiBr2]
_chemical_formula_sum '[La4 Cu1 Si1 Br2]'
_cell_volume [238.6307]
_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  0.2213  0.0000  0.7400  1.0
  La  La1  2  0.2240  0.5000  0.2372  1.0
  Si  Si2  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  1  0.0000  0.5000  0.5000  1.0
  Br  Br4  1  0.5000  0.0000  0.5000  1.0
  Br  Br5  1  0.5000  0.5000  0.0000  1.0
]