data_[Mo2As10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9750]
_cell_length_b [3.3887]
_cell_length_c [7.9823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoAs5]
_chemical_formula_sum '[Mo2 As10]'
_cell_volume [266.7175]
_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
[
  Mo  Mo0  2  0.2813  0.0000  0.0459  1
  As  As1  2  0.1347  0.5000  0.7858  1
  As  As2  2  0.2039  0.5000  0.2603  1
  As  As3  2  0.2906  0.0000  0.7144  1
  As  As4  2  0.4434  0.5000  0.3298  1
  As  As5  2  0.4794  0.5000  0.0304  1
]