data_CaYZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYZn
_chemical_formula_sum   'Ca1 Y1 Zn1'
_cell_volume   85.72
_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  0.0  0.0  0.55  1.0
  Y  Y1  1  0.55  0.47  0.56  1.0
  Zn  Zn2  1  0.0  0.94  0.51  1.0

data_CaYZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYZn
_chemical_formula_sum   'Ca1 Y1 Zn1'
_cell_volume   85.72
_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  0.55  0.0  0.0  1.0
  Y  Y1  1  0.56  0.55  0.47  1.0
  Zn  Zn2  1  0.51  0.0  0.94  1.0

Ca Y Zn
Ca Y Zn 0 2 o - o 0 1 o o o 0 1 - - o 1 2 o - o 1 2 + o o 