data_[Y4Hg4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.4911]
_cell_length_b [10.7248]
_cell_length_c [4.6747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [YHgMo]
_chemical_formula_sum '[Y4 Hg4 Mo4]'
_cell_volume [275.2000]
_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
[
  Y  Y0  4  0.2340  0.5297  0.2504  1
  Hg  Hg1  4  0.1587  0.8338  0.2555  1
  Mo  Mo2  4  0.1226  0.2175  0.2323  1
]