data_[Be1Zn2Se3]
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 [Pm]
_cell_length_a [4.0925]
_cell_length_b [19.0072]
_cell_length_c [5.8639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeZn2Se3]
_chemical_formula_sum '[Be1 Zn2 Se3]'
_cell_volume [454.5455]
_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
[
  Be  Be0  1  0.3148  0.5000  0.5799  1
  Zn  Zn1  2  0.8365  0.4073  0.5344  1
  Se  Se2  2  0.3721  0.3946  0.7485  1
  Se  Se3  1  0.9629  0.5000  0.2722  1
]