data_[Ca2La2Cd2In2Ni2S2]
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
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8574]
_cell_length_b [3.8672]
_cell_length_c [19.1762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaLaCdInNiS]
_chemical_formula_sum '[Ca2 La2 Cd2 In2 Ni2 S2]'
_cell_volume [286.0562]
_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  0.0000  0.0000  0.1579  1
  La  La1  2  0.5000  0.0000  0.9751  1
  Cd  Cd2  2  0.5000  0.0000  0.7790  1
  In  In3  2  0.0000  0.0000  0.3638  1
  Ni  Ni4  2  0.0000  0.0000  0.5267  1
  S  S5  2  0.5000  0.0000  0.5925  1
]