data_[La4Ag4Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8877]
_cell_length_b [4.8368]
_cell_length_c [10.6379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaAgBr]
_chemical_formula_sum '[La4 Ag4 Br4]'
_cell_volume [405.8422]
_cell_formula_units_Z [4]
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  4  0.0274  0.0000  0.6788  1.0
  Ag  Ag1  4  0.1714  0.5000  0.4977  1.0
  Br  Br2  4  0.1808  0.5000  0.8377  1.0
]