data_[Sb8Mo4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7197]
_cell_length_b [3.2615]
_cell_length_c [6.6484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb2MoSe]
_chemical_formula_sum '[Sb8 Mo4 Se4]'
_cell_volume [404.7360]
_cell_formula_units_Z [4]
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
[
  Sb  Sb0  4  0.0237  0.0000  0.7976  1.0
  Sb  Sb1  4  0.1749  0.0000  0.9259  1.0
  Mo  Mo2  4  0.2441  0.0000  0.3282  1.0
  Se  Se3  4  0.1496  0.5000  0.4129  1.0
]