data_[Ba4Er2Be4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2954]
_cell_length_b [4.0957]
_cell_length_c [7.4850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Er(BeAs2)2]
_chemical_formula_sum '[Ba4 Er2 Be4 As8]'
_cell_volume [440.6588]
_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
[
  Ba  Ba0  4  0.1380  0.0000  0.5752  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1734  0.5000  0.9784  1.0
  As  As3  4  0.0217  0.5000  0.7558  1.0
  As  As4  4  0.2022  0.0000  0.1582  1.0
]