data_[Mn2V4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8350]
_cell_length_b [6.8350]
_cell_length_c [2.6503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mn(VCo)2]
_chemical_formula_sum '[Mn2 V4 Co4]'
_cell_volume [123.8171]
_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  0.0000  0.0000  0.0000  1
  V  V1  4  0.1605  0.3395  0.0000  1
  Co  Co2  4  0.1368  0.6368  0.5000  1
]