data_[Hg2Mo1As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8722]
_cell_length_b [9.2807]
_cell_length_c [21.0094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Hg2MoAs3]
_chemical_formula_sum '[Hg2 Mo1 As3]'
_cell_volume [560.0229]
_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
[
  Hg  Hg0  1  0.0000  0.0000  0.6483  1
  Hg  Hg1  1  0.0000  0.5000  0.3623  1
  Mo  Mo2  1  0.5000  0.5000  0.4887  1
  As  As3  2  0.0000  0.2846  0.4989  1
  As  As4  1  0.0000  0.0000  0.5029  1
]