data_MnZn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   2.63
_cell_angle_alpha   91.05
_cell_angle_beta   91.05
_cell_angle_gamma   112.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Co
_chemical_formula_sum   'Mn1 Zn2 Co1'
_cell_volume   51.29
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.24  0.9  0.32  1.0
  Zn  Zn3  1  0.24  0.1  0.32  1.0
  Co  Co0  1  0.56  0.0  0.0  1.0

data_MnZn2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   112.03
_cell_angle_beta   91.05
_cell_angle_gamma   91.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Co
_chemical_formula_sum   'Mn1 Zn2 Co1'
_cell_volume   51.29
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.32  0.24  0.1  1.0
  Zn  Zn2  1  0.32  0.24  0.9  1.0
  Co  Co3  1  0.0  0.56  0.0  1.0

Mn Zn Zn Co
Mn Zn Zn Co 0 2 o o o 0 3 - o o 1 2 o + o 1 3 o + o 2 3 o o o 