data_[Na1Ca2In1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2625]
_cell_length_b [8.2974]
_cell_length_c [6.4408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaCa2InCl8]
_chemical_formula_sum '[Na1 Ca2 In1 Cl8]'
_cell_volume [334.6815]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2532  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2143  0.2240  0.8324  1.0
  Cl  Cl4  2  0.2670  0.0000  0.3180  1.0
  Cl  Cl5  2  0.2861  0.5000  0.3254  1.0
]