data_[Mn4Co2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3054]
_cell_length_b [2.5521]
_cell_length_c [4.3591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn2CoCu]
_chemical_formula_sum '[Mn4 Co2 Cu2]'
_cell_volume [90.5532]
_cell_formula_units_Z [2]
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  0.2492  0.0000  0.7421  1
  Mn  Mn1  2  0.4966  0.5000  0.0002  1
  Co  Co2  2  0.0028  0.5000  0.5086  1
  Cu  Cu3  2  0.2514  0.5000  0.2491  1
]