data_[Sr2Zr4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5653]
_cell_length_b [5.1311]
_cell_length_c [10.8210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SrZr2Zn]
_chemical_formula_sum '[Sr2 Zr4 Zn2]'
_cell_volume [197.9582]
_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  2  0.0000  0.0000  0.5309  1
  Zr  Zr1  2  0.0000  0.0000  0.9612  1
  Zr  Zr2  2  0.0000  0.5000  0.7426  1
  Zn  Zn3  2  0.0000  0.5000  0.2652  1
]