data_Ca2ZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   7.23
_cell_angle_alpha   105.4
_cell_angle_beta   105.4
_cell_angle_gamma   55.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnCu
_chemical_formula_sum   'Ca2 Zn1 Cu1'
_cell_volume   109.56
_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  0.23  0.0  0.58  1.0
  Ca  Ca1  1  0.33  0.0  0.31  1.0
  Zn  Zn3  1  0.78  0.0  0.45  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Ca2ZnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.38
_cell_length_c   7.23
_cell_angle_alpha   105.4
_cell_angle_beta   90.0
_cell_angle_gamma   117.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnCu
_chemical_formula_sum   'Ca2 Zn1 Cu1'
_cell_volume   109.56
_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  0.67  0.69  1.0
  Ca  Ca1  1  0.0  0.77  0.42  1.0
  Zn  Zn2  1  0.0  0.22  0.55  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Ca Ca Zn Cu