data_[Zr4P2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4032]
_cell_length_b [3.7823]
_cell_length_c [7.7163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2PPt]
_chemical_formula_sum '[Zr4 P2 Pt2]'
_cell_volume [148.1261]
_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  0.2153  0.2500  0.4189  1.0
  Zr  Zr1  2  0.2746  0.7500  0.0670  1.0
  P  P2  2  0.1240  0.2500  0.7967  1.0
  Pt  Pt3  2  0.3634  0.7500  0.7029  1.0
]