data_[Zr6Pt1O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1340]
_cell_length_b [5.7050]
_cell_length_c [5.8877]
_cell_angle_alpha [98.4609]
_cell_angle_beta [112.8521]
_cell_angle_gamma [90.6473]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr6PtO]
_chemical_formula_sum '[Zr6 Pt1 O1]'
_cell_volume [156.7389]
_cell_formula_units_Z [1]
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  0.0684  0.7856  0.6483  1.0
  Zr  Zr1  2  0.2256  0.3322  0.9685  1.0
  Zr  Zr2  2  0.4011  0.8791  0.2487  1.0
  Pt  Pt3  1  0.5000  0.5000  0.5000  1.0
  O  O4  1  0.0000  0.0000  0.0000  1.0
]