data_BeZnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.0
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   96.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnIn2
_chemical_formula_sum   'Be1 Zn1 In2'
_cell_volume   78.02
_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  Zn3  1  0.64  0.0  0.07  1.0
  In  In1  1  0.18  0.0  0.46  1.0
  In  In2  1  0.26  0.0  0.68  1.0

data_BeZnIn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.17
_cell_length_b   4.0
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   96.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeZnIn2
_chemical_formula_sum   'Be1 Zn1 In2'
_cell_volume   78.02
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.64  0.0  0.07  1.0
  In  In2  1  0.18  0.0  0.46  1.0
  In  In3  1  0.26  0.0  0.68  1.0

Be Zn In In