data_BeZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.24
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   95.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn3
_chemical_formula_sum   'Be1 Zn3'
_cell_volume   55.41
_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  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.56  0.12  0.1  1.0
  Zn  Zn2  1  0.2  0.0  0.29  1.0
  Zn  Zn3  1  0.85  0.12  0.47  1.0

data_BeZn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.24
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   95.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn3
_chemical_formula_sum   'Be1 Zn3'
_cell_volume   55.41
_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  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.2  0.0  0.29  1.0
  Zn  Zn2  1  0.56  0.12  0.1  1.0
  Zn  Zn3  1  0.85  0.12  0.47  1.0

Be Zn Zn Zn