data_[Be2Cu2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3548]
_cell_length_b [3.8824]
_cell_length_c [6.8102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BeCuSb]
_chemical_formula_sum '[Be2 Cu2 Sb2]'
_cell_volume [114.1271]
_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  2  0.4180  0.7500  0.0790  1
  Cu  Cu1  2  0.1332  0.2500  0.0760  1
  Sb  Sb2  2  0.3176  0.7500  0.7031  1
]