data_[Mn4Zn1Co5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8533]
_cell_length_b [2.8533]
_cell_length_c [14.2435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mn4ZnCo5]
_chemical_formula_sum '[Mn4 Zn1 Co5]'
_cell_volume [115.9639]
_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  2  0.0000  0.0000  0.1994  1
  Mn  Mn1  2  0.0000  0.0000  0.4000  1
  Zn  Zn2  1  0.0000  0.0000  0.0000  1
  Co  Co3  2  0.5000  0.5000  0.1073  1
  Co  Co4  2  0.5000  0.5000  0.2999  1
  Co  Co5  1  0.5000  0.5000  0.5000  1
]