data_NaCaY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   147.93
_cell_angle_beta   132.46
_cell_angle_gamma   58.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaY
_chemical_formula_sum   'Na1 Ca1 Y1'
_cell_volume   107.48
_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
  Na  Na1  1  0.0  0.0  0.77  1.0
  Ca  Ca0  1  0.0  0.0  0.36  1.0
  Y  Y2  1  0.0  0.0  0.6  1.0

data_NaCaY
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.25
_cell_length_c   6.52
_cell_angle_alpha   113.77
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaY
_chemical_formula_sum   'Na1 Ca1 Y1'
_cell_volume   107.48
_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
  Na  Na0  1  0.0  0.77  0.77  1.0
  Ca  Ca1  1  0.0  0.36  0.36  1.0
  Y  Y2  1  0.0  0.6  0.6  1.0

Na Ca Y