data_[Sr8Be8As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [16.0482]
_cell_length_b [4.1061]
_cell_length_c [11.5358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Be2As3]
_chemical_formula_sum '[Sr8 Be8 As12]'
_cell_volume [616.0332]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.1087  0.5000  0.9480  1
  Sr  Sr1  4  0.2365  0.5000  0.3429  1
  Be  Be2  4  0.0333  0.0000  0.3121  1
  Be  Be3  4  0.0781  0.5000  0.6349  1
  As  As4  4  0.0718  0.0000  0.1330  1
  As  As5  4  0.0955  0.5000  0.4451  1
  As  As6  4  0.1380  0.0000  0.7717  1
]