data_[Cs2Ca2In2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7553]
_cell_length_b [7.8815]
_cell_length_c [9.7104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaInBr4]
_chemical_formula_sum '[Cs2 Ca2 In2 Br8]'
_cell_volume [639.9136]
_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
[
  Cs  Cs0  2  0.2484  0.7500  0.0217  1.0
  Ca  Ca1  2  0.2837  0.2500  0.3298  1.0
  In  In2  2  0.1955  0.7500  0.5269  1.0
  Br  Br3  4  0.0491  0.5034  0.2792  1.0
  Br  Br4  2  0.3990  0.2500  0.0977  1.0
  Br  Br5  2  0.4898  0.7500  0.3997  1.0
]