data_[Re2Hg1As1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.0154]
_cell_length_b [3.9994]
_cell_length_c [5.7251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Re2HgAs]
_chemical_formula_sum '[Re2 Hg1 As1]'
_cell_volume [67.0078]
_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
[
  Re  Re0  2  0.1351  0.0000  0.7864  1
  Hg  Hg1  1  0.5000  0.5000  0.5000  1
  As  As2  1  0.5000  0.5000  0.0000  1
]