data_[Ti1Hg2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.4445]
_cell_length_b [3.3716]
_cell_length_c [8.4170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TiHg2P]
_chemical_formula_sum '[Ti1 Hg2 P1]'
_cell_volume [96.6512]
_cell_formula_units_Z [1]
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
[
  Ti  Ti0  1  0.0000  0.5000  0.0000  1
  Hg  Hg1  2  0.2159  0.5000  0.3433  1
  P  P2  1  0.5000  0.0000  0.0000  1
]