data_[Be4Mo4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Mo  2.1600  1.4500  0.7750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.4018]
_cell_length_b [6.4018]
_cell_length_c [3.4086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Be2Mo2Pb]
_chemical_formula_sum '[Be4 Mo4 Pb2]'
_cell_volume [139.6953]
_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
[
  Be  Be0  4  0.1120  0.3880  0.0000  1
  Mo  Mo1  4  0.1704  0.6704  0.5000  1
  Pb  Pb2  2  0.0000  0.0000  0.0000  1
]