data_[Mo2As2Br3]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7764]
_cell_length_b [5.5109]
_cell_length_c [18.7395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mo2As2Br3]
_chemical_formula_sum '[Mo2 As2 Br3]'
_cell_volume [699.8064]
_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  0.5440  0.2441  0.5029  1
  As  As1  1  0.7646  0.0000  0.5756  1
  As  As2  1  0.8239  0.5000  0.4700  1
  Br  Br3  1  0.2172  0.0000  0.4750  1
  Br  Br4  1  0.3317  0.5000  0.5866  1
  Br  Br5  1  0.6316  0.0000  0.3870  1
]