data_[Zr4Sc2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4636]
_cell_length_b [4.8134]
_cell_length_c [9.8477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Zr2ScPt]
_chemical_formula_sum '[Zr4 Sc2 Pt2]'
_cell_volume [164.1778]
_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  0.2301  1
  Zr  Zr1  2  0.0000  0.5000  0.9975  1
  Sc  Sc2  2  0.0000  0.0000  0.7730  1
  Pt  Pt3  2  0.0000  0.5000  0.4994  1
]