data_[Zn2Mo2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5290]
_cell_length_b [3.2987]
_cell_length_c [5.9237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnMoSe2]
_chemical_formula_sum '[Zn2 Mo2 Se4]'
_cell_volume [161.1373]
_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
[
  Zn  Zn0  2  0.3962  0.0000  0.2926  1
  Mo  Mo1  2  0.3354  0.0000  0.8238  1
  Se  Se2  2  0.0555  0.0000  0.8952  1
  Se  Se3  2  0.2129  0.5000  0.4884  1
]