[CIF]
data_Ca2BeNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31313426
_cell_length_b   6.31313426
_cell_length_c   5.25942818
_cell_angle_alpha   114.18321576
_cell_angle_beta   114.18321576
_cell_angle_gamma   29.81249387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BeNb
_chemical_formula_sum   'Ca2 Be1 Nb1'
_cell_volume   94.38682182
_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  1.10949689  -0.00000000  3.48067603  1
  Ca  Ca1  1  9.58943580  -0.00000000  4.55428253  1
  Ca  Ca2  1  8.64539218  -0.00000000  1.23041041  1
  Nb  Nb3  1  5.58513634  0.00000000  2.64327660  1
[/CIF]
