data_[Sr2Sc2Mn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6751]
_cell_length_b [3.2396]
_cell_length_c [5.5505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrScMn2]
_chemical_formula_sum '[Sr2 Sc2 Mn4]'
_cell_volume [184.7935]
_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
[
  Sr  Sr0  2  0.2307  0.5000  0.2046  1
  Sc  Sc1  2  0.0293  0.5000  0.5923  1
  Mn  Mn2  2  0.2753  0.0000  0.7249  1
  Mn  Mn3  2  0.4646  0.5000  0.9782  1
]