data_ZrBe2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   45.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2In
_chemical_formula_sum   'Zr1 Be2 In1'
_cell_volume   62.38
_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
  Zr  Zr3  1  0.0  0.0  0.53  1.0
  Be  Be0  1  0.84  0.0  0.35  1.0
  Be  Be1  1  0.0  0.0  0.22  1.0
  In  In2  1  0.84  0.0  0.94  1.0

data_ZrBe2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.75
_cell_length_c   4.89
_cell_angle_alpha   112.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2In
_chemical_formula_sum   'Zr1 Be2 In1'
_cell_volume   62.38
_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
  Zr  Zr0  1  0.0  0.53  0.53  1.0
  Be  Be1  1  0.0  0.22  0.22  1.0
  Be  Be2  1  0.16  0.35  0.35  1.0
  In  In3  1  0.16  0.94  0.94  1.0

Zr Be Be In
Zr Be Be In 0 1 - o o 1 2 + o o 2 3 - o - 