data_KCaY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52
_cell_length_b   10.28
_cell_length_c   3.71
_cell_angle_alpha   83.45
_cell_angle_beta   76.02
_cell_angle_gamma   20.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaY
_chemical_formula_sum   'K1 Ca1 Y1'
_cell_volume   129.11
_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  0.09  0.07  0.48  1.0
  Ca  Ca0  1  0.09  0.07  0.85  1.0
  Y  Y2  1  0.09  0.07  0.92  1.0

data_KCaY
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   20.13
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   124.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCaY
_chemical_formula_sum   'K2 Ca2 Y2'
_cell_volume   258.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.48  0.0  0.57  1.0
  Ca  Ca1  2  0.35  0.5  0.94  1.0
  Y  Y2  2  0.42  0.5  0.01  1.0

K Ca Y