data_[Zr4Be2Au2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3227]
_cell_length_b [3.4524]
_cell_length_c [7.6982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2BeAuC]
_chemical_formula_sum '[Zr4 Be2 Au2 C2]'
_cell_volume [159.8979]
_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  0.1737  0.2500  0.3739  1.0
  Zr  Zr1  2  0.2066  0.2500  0.9734  1.0
  Be  Be2  2  0.4455  0.7500  0.2508  1.0
  Au  Au3  2  0.3110  0.7500  0.6961  1.0
  C  C4  2  0.1623  0.7500  0.1709  1.0
]