data_[Sr2La2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.9644]
_cell_length_b [4.4117]
_cell_length_c [13.9659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLaBr5]
_chemical_formula_sum '[Sr2 La2 Br10]'
_cell_volume [489.8997]
_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
[
  Sr  Sr0  2  0.4570  0.7500  0.6469  1.0
  La  La1  2  0.0496  0.2500  0.8398  1.0
  Br  Br2  2  0.0466  0.7500  0.6854  1.0
  Br  Br3  2  0.1487  0.2500  0.0646  1.0
  Br  Br4  2  0.3031  0.2500  0.5218  1.0
  Br  Br5  2  0.3169  0.7500  0.2608  1.0
  Br  Br6  2  0.3259  0.7500  0.8784  1.0
]