data_[Sr4Mn4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3014]
_cell_length_b [3.8972]
_cell_length_c [7.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrMnCo]
_chemical_formula_sum '[Sr4 Mn4 Co4]'
_cell_volume [258.8056]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  2  0.0680  0.5000  0.4795  1
  Sr  Sr1  2  0.4322  0.0000  0.7851  1
  Mn  Mn2  2  0.1415  0.0000  0.2072  1
  Mn  Mn3  2  0.2482  0.0000  0.0057  1
  Co  Co4  2  0.2668  0.5000  0.2397  1
  Co  Co5  2  0.3924  0.5000  0.0711  1
]