data_[K4Be4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7862]
_cell_length_b [4.5704]
_cell_length_c [10.1827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KBeGa]
_chemical_formula_sum '[K4 Be4 Ga4]'
_cell_volume [359.9708]
_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
[
  K  K0  2  0.0997  0.0000  0.2204  1
  K  K1  2  0.1932  0.5000  0.8201  1
  Be  Be2  4  0.0360  0.2500  0.5200  1
  Ga  Ga3  2  0.2776  0.5000  0.4552  1
  Ga  Ga4  2  0.2971  0.0000  0.5850  1
]