data_[Ca2La2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6165]
_cell_length_b [4.3102]
_cell_length_c [14.1040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaLaBr5]
_chemical_formula_sum '[Ca2 La2 Br10]'
_cell_volume [522.5045]
_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
[
  Ca  Ca0  2  0.0848  0.2500  0.1319  1
  La  La1  2  0.4142  0.7500  0.3456  1
  Br  Br2  2  0.0736  0.7500  0.3082  1
  Br  Br3  2  0.1325  0.2500  0.9274  1
  Br  Br4  2  0.3190  0.2500  0.4829  1
  Br  Br5  2  0.3392  0.7500  0.1332  1
  Br  Br6  2  0.3794  0.7500  0.7098  1
]