data_YBeIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeIn2
_chemical_formula_sum   'Y1 Be1 In2'
_cell_volume   90.07
_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
  Y  Y3  1  0.25  0.0  0.54  1.0
  Be  Be0  1  0.0  0.0  0.75  1.0
  In  In1  1  0.25  0.0  0.36  1.0
  In  In2  1  0.0  0.0  0.89  1.0

data_YBeIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeIn2
_chemical_formula_sum   'Y1 Be1 In2'
_cell_volume   90.07
_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
  Y  Y0  1  0.25  0.0  0.54  1.0
  Be  Be1  1  0.0  0.0  0.75  1.0
  In  In2  1  0.0  0.0  0.89  1.0
  In  In3  1  0.25  0.0  0.36  1.0

Y Be In In
Y Be In In 0 2 o o o 1 3 o o o 