data_[Sr4Al1In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4665]
_cell_length_b [4.9146]
_cell_length_c [12.7671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr4AlIn3]
_chemical_formula_sum '[Sr4 Al1 In3]'
_cell_volume [280.2566]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.1457  1
  Sr  Sr1  1  0.0000  0.5000  0.8561  1
  Sr  Sr2  1  0.5000  0.0000  0.6486  1
  Sr  Sr3  1  0.5000  0.5000  0.3490  1
  Al  Al4  1  0.5000  0.5000  0.0661  1
  In  In5  1  0.0000  0.0000  0.4282  1
  In  In6  1  0.0000  0.5000  0.5712  1
  In  In7  1  0.5000  0.0000  0.9351  1
]