data_[Zr2Pt14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0048]
_cell_length_b [4.0048]
_cell_length_c [16.1816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [ZrPt7]
_chemical_formula_sum '[Zr2 Pt14]'
_cell_volume [259.5264]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0000  1
  Pt  Pt1  8  0.0000  0.5000  0.1239  1
  Pt  Pt2  4  0.0000  0.0000  0.2547  1
  Pt  Pt3  2  0.0000  0.0000  0.5000  1
]