data_[Sr6Ca8In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0443]
_cell_length_b [10.1124]
_cell_length_c [19.4322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3(CaIn)4]
_chemical_formula_sum '[Sr6 Ca8 In8]'
_cell_volume [794.7302]
_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  4  0.0000  0.0000  0.0993  1.0
  Sr  Sr1  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca2  8  0.0000  0.1906  0.3308  1.0
  In  In3  4  0.0000  0.2800  0.5000  1.0
  In  In4  4  0.0000  0.5000  0.2572  1.0
]