[CIF]
data_KCaNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16511116
_cell_length_b   5.16511116
_cell_length_c   5.16511116
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaNb2
_chemical_formula_sum   'K1 Ca1 Nb2'
_cell_volume   97.43702625
_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
  Ca  Ca0  1  1.82614257  1.82614257  1.82614256  1
  K  K1  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb2  1  5.47842770  5.47842770  5.47842770  1
  Nb  Nb3  1  3.65228513  3.65228513  3.65228513  1
[/CIF]
