data_[Sr12Zn4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.0108]
_cell_length_b [6.2933]
_cell_length_c [12.3081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3ZnIn]
_chemical_formula_sum '[Sr12 Zn4 In4]'
_cell_volume [750.6262]
_cell_formula_units_Z [4]
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  0.0294  0.1697  0.1534  1.0
  Sr  Sr1  4  0.3360  0.6394  0.9534  1.0
  Sr  Sr2  4  0.3834  0.1259  0.1508  1.0
  Zn  Zn3  4  0.3408  0.1297  0.8639  1.0
  In  In4  4  0.1951  0.6611  0.1591  1.0
]