data_[La2Br2Cl2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7305]
_cell_length_b [7.7728]
_cell_length_c [7.8464]
_cell_angle_alpha [71.5495]
_cell_angle_beta [76.2571]
_cell_angle_gamma [76.5012]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaBrCl]
_chemical_formula_sum '[La2 Br2 Cl2]'
_cell_volume [206.5317]
_cell_formula_units_Z [2]
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  0.3732  0.2227  0.0380  1
  Br  Br1  2  0.3240  0.5919  0.7474  1
  Cl  Cl2  2  0.0634  0.0934  0.7841  1
]