data_CaY2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   4.91
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   96.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Pb
_chemical_formula_sum   'Ca1 Y2 Pb1'
_cell_volume   126.87
_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  0.84  0.0  0.53  1.0
  Y  Y2  1  0.76  0.0  0.88  1.0
  Y  Y3  1  0.67  0.45  0.64  1.0
  Pb  Pb1  1  0.34  0.45  0.21  1.0

data_CaY2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.91
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   96.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Pb
_chemical_formula_sum   'Ca1 Y2 Pb1'
_cell_volume   126.87
_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  0.84  0.0  0.53  1.0
  Y  Y1  1  0.67  0.45  0.64  1.0
  Y  Y2  1  0.76  0.0  0.88  1.0
  Pb  Pb3  1  0.34  0.45  0.21  1.0

Ca Y Y Pb