data_[Be2Zn2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8310]
_cell_length_b [6.7004]
_cell_length_c [6.3416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BeZnSe2]
_chemical_formula_sum '[Be2 Zn2 Se4]'
_cell_volume [162.7835]
_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
[
  Be  Be0  2  0.0000  0.1599  0.1120  1.0
  Zn  Zn1  2  0.5000  0.3289  0.6157  1.0
  Se  Se2  2  0.0000  0.1459  0.4684  1.0
  Se  Se3  2  0.5000  0.3161  0.0056  1.0
]