data_[Zr4Mo4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4404]
_cell_length_b [4.4255]
_cell_length_c [14.6003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [ZrMoPt]
_chemical_formula_sum '[Zr4 Mo4 Pt4]'
_cell_volume [222.2958]
_cell_formula_units_Z [4]
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  0.5000  0.1432  1
  Zr  Zr1  2  0.0000  0.5000  0.7942  1
  Mo  Mo2  2  0.0000  0.0000  0.9756  1
  Mo  Mo3  2  0.0000  0.5000  0.5997  1
  Pt  Pt4  2  0.0000  0.0000  0.4644  1
  Pt  Pt5  2  0.0000  0.5000  0.3327  1
]