data_[La2Hg3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1852]
_cell_length_b [8.1391]
_cell_length_c [20.6184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La2Hg3As4]
_chemical_formula_sum '[La2 Hg3 As4]'
_cell_volume [702.3386]
_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
[
  La  La0  2  0.0000  0.2542  0.5424  1
  Hg  Hg1  2  0.5000  0.2668  0.4054  1
  Hg  Hg2  1  0.0000  0.0000  0.3700  1
  As  As3  2  0.5000  0.3586  0.6425  1
  As  As4  1  0.0000  0.5000  0.4246  1
  As  As5  1  0.5000  0.0000  0.5249  1
]