data_[Sc2Hg2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7812]
_cell_length_b [3.7877]
_cell_length_c [3.7932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScHgP2]
_chemical_formula_sum '[Sc2 Hg2 P4]'
_cell_volume [163.9250]
_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
[
  Sc  Sc0  2  0.0314  0.5000  0.4472  1
  Hg  Hg1  2  0.2918  0.5000  0.3387  1
  P  P2  2  0.0011  0.0000  0.9227  1
  P  P3  2  0.1757  0.0000  0.7914  1
]