data_[Sr112Mn8Bi88]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4_1/acd]
_cell_length_a [18.0663]
_cell_length_b [18.0663]
_cell_length_c [23.6871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [142]
_chemical_formula_structural [Sr14MnBi11]
_chemical_formula_sum '[Sr112 Mn8 Bi88]'
_cell_volume [7731.2083]
_cell_formula_units_Z [8]
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  32  0.0222  0.1259  0.6261  1
  Sr  Sr1  32  0.0421  0.1764  0.2974  1
  Sr  Sr2  32  0.1580  0.1794  0.0322  1
  Sr  Sr3  16  0.1453  0.2500  0.8750  1
  Mn  Mn4  8  0.0000  0.0000  0.0000  1
  Bi  Bi5  32  0.0044  0.1369  0.9389  1
  Bi  Bi6  32  0.1312  0.2234  0.1723  1
  Bi  Bi7  16  0.1347  0.1347  0.7500  1
  Bi  Bi8  8  0.0000  0.0000  0.2500  1
]