data_[Be1Hg1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  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 [3.8831]
_cell_length_b [3.5439]
_cell_length_c [5.9088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BeHgP2]
_chemical_formula_sum '[Be1 Hg1 P2]'
_cell_volume [77.3354]
_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
[
  Be  Be0  1  0.0000  0.5000  0.5000  1
  Hg  Hg1  1  0.5000  0.5000  0.0000  1
  P  P2  2  0.2206  0.0000  0.3786  1
]