data_[Ga4B8As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6315]
_cell_length_b [9.4771]
_cell_length_c [4.9536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaB2As]
_chemical_formula_sum '[Ga4 B8 As4]'
_cell_volume [233.1051]
_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
[
  Ga  Ga0  4  0.2500  0.2500  0.5000  1
  B  B1  8  0.1340  0.3146  0.9643  1
  As  As2  4  0.2441  0.0000  0.1614  1
]