data_[Sr2Ca8Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5051]
_cell_length_b [6.8759]
_cell_length_c [8.9346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(Ca2Zn)2]
_chemical_formula_sum '[Sr2 Ca8 Zn4]'
_cell_volume [484.8455]
_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  0.0025  0.2500  0.1517  1
  Ca  Ca1  4  0.2394  0.5007  0.5814  1
  Ca  Ca2  2  0.3445  0.7500  0.2617  1
  Ca  Ca3  2  0.3945  0.2500  0.0198  1
  Zn  Zn4  2  0.0217  0.2500  0.7357  1
  Zn  Zn5  2  0.4184  0.2500  0.3788  1
]