data_[Be5Ga1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0733]
_cell_length_b [5.8063]
_cell_length_c [6.3549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Be5GaPd6]
_chemical_formula_sum '[Be5 Ga1 Pd6]'
_cell_volume [144.5530]
_cell_formula_units_Z [1]
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  2  0.3277  0.0000  0.6592  1
  Be  Be1  2  0.3300  0.5000  0.6683  1
  Be  Be2  1  0.0000  0.5000  0.0000  1
  Ga  Ga3  1  0.0000  0.0000  0.0000  1
  Pd  Pd4  4  0.1743  0.2550  0.3413  1
  Pd  Pd5  2  0.5000  0.2613  0.0000  1
]