data_K2CaY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   125.16
_cell_angle_beta   125.16
_cell_angle_gamma   81.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaY
_chemical_formula_sum   'K2 Ca1 Y1'
_cell_volume   194.75
_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
  K  K1  1  0.0  0.09  0.55  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.0  0.0  0.09  1.0
  Y  Y3  1  0.09  0.0  0.55  1.0

data_K2CaY
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.71
_cell_angle_alpha   117.42
_cell_angle_beta   117.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaY
_chemical_formula_sum   'K2 Ca1 Y1'
_cell_volume   194.75
_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
  K  K0  1  0.0  0.0  0.0  1.0
  K  K1  1  0.54  0.09  0.54  1.0
  Ca  Ca2  1  0.91  0.0  0.91  1.0
  Y  Y3  1  0.45  0.0  0.54  1.0

K K Ca Y