data_[Zr8Pt2C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0622]
_cell_length_b [6.1110]
_cell_length_c [6.4291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr4PtC]
_chemical_formula_sum '[Zr8 Pt2 C2]'
_cell_volume [234.9944]
_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  4  0.1670  0.6359  0.8898  1
  Zr  Zr1  4  0.3933  0.1655  0.8056  1
  Pt  Pt2  2  0.0000  0.0000  0.0000  1
  C  C3  2  0.5000  0.0000  0.5000  1
]