[CIF]
data_K2CaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93976534
_cell_length_b   3.93976534
_cell_length_c   10.91874108
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.17629250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaCu
_chemical_formula_sum   'K2 Ca1 Cu1'
_cell_volume   169.35573729
_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  0.00000000  0.00000000  0.00000000  1
  Cu  Cu1  1  0.00000000  0.00000000  5.45937054  1
  K  K2  1  2.73242774  -0.00000000  7.43637141  1
  K  K3  1  2.73242774  -0.00000000  3.48236967  1
[/CIF]
