data_[Be2Zn4Se2]
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 [Cm]
_cell_length_a [8.2787]
_cell_length_b [3.4382]
_cell_length_c [5.6134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeZn2Se]
_chemical_formula_sum '[Be2 Zn4 Se2]'
_cell_volume [157.6489]
_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  0.4563  0.0000  0.5666  1
  Zn  Zn1  2  0.1829  0.0000  0.7239  1
  Zn  Zn2  2  0.4033  0.5000  0.8801  1
  Se  Se3  2  0.4575  0.5000  0.3294  1
]