data_Ca2ZnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   7.46
_cell_angle_alpha   98.91
_cell_angle_beta   98.91
_cell_angle_gamma   46.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnCo
_chemical_formula_sum   'Ca2 Zn1 Co1'
_cell_volume   97.96
_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  0.52  0.0  0.57  1.0
  Ca  Ca1  1  0.05  0.0  0.78  1.0
  Zn  Zn3  1  0.28  0.0  0.68  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_Ca2ZnCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.27
_cell_length_c   7.46
_cell_angle_alpha   98.91
_cell_angle_beta   90.0
_cell_angle_gamma   113.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnCo
_chemical_formula_sum   'Ca2 Zn1 Co1'
_cell_volume   97.96
_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  0.48  0.43  1.0
  Ca  Ca1  1  0.0  0.95  0.22  1.0
  Zn  Zn2  1  0.0  0.72  0.32  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Ca Ca Zn Co
Ca Ca Zn Co 0 2 o o o 1 2 o o o 1 3 o o + 