data_[B2Mo2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.9774]
_cell_length_b [7.3983]
_cell_length_c [17.8249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BMoAs3]
_chemical_formula_sum '[B2 Mo2 As6]'
_cell_volume [920.1338]
_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
[
  B  B0  2  0.3839  0.0000  0.4325  1
  Mo  Mo1  2  0.1691  0.0000  0.5071  1
  As  As2  4  0.4968  0.2201  0.4846  1
  As  As3  2  0.4781  0.0000  0.5910  1
]