data_CaZn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.59
_cell_angle_alpha   111.93
_cell_angle_beta   111.93
_cell_angle_gamma   57.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Co
_chemical_formula_sum   'Ca1 Zn2 Co1'
_cell_volume   77.28
_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  0.58  0.0  0.59  1.0
  Zn  Zn2  1  0.09  0.0  0.81  1.0
  Zn  Zn3  1  0.98  0.0  0.48  1.0
  Co  Co1  1  0.08  0.0  0.78  1.0

data_CaZn2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.26
_cell_length_c   5.59
_cell_angle_alpha   111.93
_cell_angle_beta   90.0
_cell_angle_gamma   118.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Co
_chemical_formula_sum   'Ca1 Zn2 Co1'
_cell_volume   77.28
_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  0.42  0.41  1.0
  Zn  Zn1  1  0.0  0.02  0.52  1.0
  Zn  Zn2  1  0.0  0.91  0.19  1.0
  Co  Co3  1  0.0  0.92  0.22  1.0

Ca Zn Zn Co