data_[Cs1Be1Zn3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0890]
_cell_length_b [4.1610]
_cell_length_c [10.7240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CsBe(ZnAs)3]
_chemical_formula_sum '[Cs1 Be1 Zn3 As3]'
_cell_volume [182.4642]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.5053  1
  Be  Be1  1  0.0000  0.0000  0.8452  1
  Zn  Zn2  1  0.0000  0.0000  0.1481  1
  Zn  Zn3  1  0.5000  0.5000  0.1511  1
  Zn  Zn4  1  0.5000  0.5000  0.8498  1
  As  As5  1  0.0000  0.5000  0.9910  1
  As  As6  1  0.5000  0.0000  0.2813  1
  As  As7  1  0.5000  0.0000  0.7282  1
]