data_LaBeZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeZn2
_chemical_formula_sum   'La1 Be1 Zn2'
_cell_volume   72.14
_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
  La  La1  1  0.2  0.0  0.95  1.0
  Be  Be0  1  0.0  0.0  0.18  1.0
  Zn  Zn2  1  0.0  0.0  0.89  1.0
  Zn  Zn3  1  0.2  0.0  0.28  1.0

data_LaBeZn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaBeZn2
_chemical_formula_sum   'La1 Be1 Zn2'
_cell_volume   72.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  La  La0  1  0.2  0.0  0.95  1.0
  Be  Be1  1  0.0  0.0  0.18  1.0
  Zn  Zn2  1  0.0  0.0  0.89  1.0
  Zn  Zn3  1  0.2  0.0  0.28  1.0

La Be Zn Zn