data_[Sr1Mn2B2O6]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3153]
_cell_length_b [5.5583]
_cell_length_c [6.0037]
_cell_angle_alpha [68.9517]
_cell_angle_beta [65.2201]
_cell_angle_gamma [85.7056]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrMn2(BO3)2]
_chemical_formula_sum '[Sr1 Mn2 B2 O6]'
_cell_volume [149.6971]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Mn  Mn1  2  0.3406  0.7849  0.4661  1.0
  B  B2  2  0.1088  0.2575  0.6851  1.0
  O  O3  2  0.1747  0.7714  0.2153  1.0
  O  O4  2  0.2500  0.3995  0.7553  1.0
  O  O5  2  0.2791  0.1569  0.4905  1.0
]