data_[Ba3Mn3Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1434]
_cell_length_b [4.1434]
_cell_length_c [17.4300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaMnCo2]
_chemical_formula_sum '[Ba3 Mn3 Co6]'
_cell_volume [259.1408]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.7455  1
  Mn  Mn1  3  0.0000  0.0000  0.5564  1
  Co  Co2  3  0.0000  0.0000  0.2595  1
  Co  Co3  3  0.0000  0.0000  0.9370  1
]