data_[Sr4Mn4H16]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2434]
_cell_length_b [3.7853]
_cell_length_c [5.3661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrMnH4]
_chemical_formula_sum '[Sr4 Mn4 H16]'
_cell_volume [266.0352]
_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  4  0.1450  0.0000  0.7119  1.0
  Mn  Mn1  4  0.0863  0.5000  0.1673  1.0
  H  H2  4  0.0413  0.5000  0.8406  1.0
  H  H3  4  0.0921  0.0000  0.1952  1.0
  H  H4  4  0.1702  0.5000  0.4391  1.0
  H  H5  4  0.1904  0.5000  0.0135  1.0
]