data_[Ta4Hg2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.5748]
_cell_length_b [4.6776]
_cell_length_c [9.2776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Ta2HgP]
_chemical_formula_sum '[Ta4 Hg2 P2]'
_cell_volume [155.1349]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.9904  1
  Ta  Ta1  2  0.0000  0.5000  0.2273  1
  Hg  Hg2  2  0.0000  0.0000  0.4808  1
  P  P3  2  0.0000  0.5000  0.8015  1
]