data_BeInNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.09
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInNi2
_chemical_formula_sum   'Be1 In1 Ni2'
_cell_volume   51.39
_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  0.44  1.0
  In  In1  1  0.43  0.54  0.39  1.0
  Ni  Ni2  1  0.0  0.0  0.21  1.0
  Ni  Ni3  1  0.43  0.54  0.67  1.0

data_BeInNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.09
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInNi2
_chemical_formula_sum   'Be1 In1 Ni2'
_cell_volume   51.39
_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  0.44  1.0
  In  In1  1  0.43  0.54  0.39  1.0
  Ni  Ni2  1  0.0  0.0  0.21  1.0
  Ni  Ni3  1  0.43  0.54  0.67  1.0

Be In Ni Ni
Be In Ni Ni 0 2 o o o 0 1 o o o 0 1 o - o 1 3 o o o 