data_[Ca4Ti2Zn4Pt10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.8033]
_cell_length_b [9.8033]
_cell_length_c [3.6980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2TiZn2Pt5]
_chemical_formula_sum '[Ca4 Ti2 Zn4 Pt10]'
_cell_volume [355.4000]
_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
[
  Ca  Ca0  4  0.1737  0.6737  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1255  0.3745  0.0000  1.0
  Pt  Pt3  8  0.0618  0.1989  0.5000  1.0
  Pt  Pt4  2  0.0000  0.5000  0.5000  1.0
]