data_[Sm2Mn2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3816]
_cell_length_b [4.1640]
_cell_length_c [5.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmMnH3]
_chemical_formula_sum '[Sm2 Mn2 H6]'
_cell_volume [99.9988]
_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
[
  Sm  Sm0  2  0.1470  0.7500  0.2923  1
  Mn  Mn1  2  0.4168  0.7500  0.9020  1
  H  H2  4  0.3443  0.0060  0.6710  1
  H  H3  2  0.0282  0.7500  0.8647  1
]