data_[Tm4Hg2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.2016]
_cell_length_b [9.3399]
_cell_length_c [6.2907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tm2HgAs2]
_chemical_formula_sum '[Tm4 Hg2 As4]'
_cell_volume [246.8600]
_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
[
  Tm  Tm0  2  0.0000  0.5996  0.4180  1
  Tm  Tm1  2  0.0000  0.9159  0.7500  1
  Hg  Hg2  2  0.0000  0.2032  0.5422  1
  As  As3  2  0.0000  0.1858  0.9853  1
  As  As4  2  0.0000  0.6076  0.9388  1
]