data_[Mo3As3Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7575]
_cell_length_b [20.2362]
_cell_length_c [5.1524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mo3As3Se2]
_chemical_formula_sum '[Mo3 As3 Se2]'
_cell_volume [461.4243]
_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
[
  Mo  Mo0  2  0.6190  0.4394  0.0950  1
  Mo  Mo1  1  0.1932  0.5000  0.2579  1
  As  As2  2  0.5861  0.4108  0.5774  1
  As  As3  1  0.1735  0.5000  0.7564  1
  Se  Se4  2  0.1417  0.3706  0.1989  1
]