data_[Be2Zn2In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.8372]
_cell_length_b [3.8790]
_cell_length_c [6.0828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeZnIn]
_chemical_formula_sum '[Be2 Zn2 In2]'
_cell_volume [104.7074]
_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  1  0.0618  0.0000  0.0135  1
  Be  Be1  1  0.2281  0.5000  0.9004  1
  Zn  Zn2  1  0.7214  0.5000  0.8476  1
  Zn  Zn3  1  0.9271  0.0000  0.6167  1
  In  In4  1  0.2495  0.5000  0.3870  1
  In  In5  1  0.6171  0.0000  0.1405  1
]