data_[Mn6Sb2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9888]
_cell_length_b [3.9889]
_cell_length_c [9.7032]
_cell_angle_alpha [78.4453]
_cell_angle_beta [78.2389]
_cell_angle_gamma [61.1451]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn3SbH]
_chemical_formula_sum '[Mn6 Sb2 H2]'
_cell_volume [131.4419]
_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
[
  Mn  Mn0  1  0.0892  0.7024  0.3818  1
  Mn  Mn1  1  0.1854  0.7956  0.1068  1
  Mn  Mn2  1  0.4133  0.0260  0.3789  1
  Mn  Mn3  1  0.5136  0.1240  0.0988  1
  Mn  Mn4  1  0.8012  0.4216  0.2297  1
  Mn  Mn5  1  0.8904  0.5015  0.9813  1
  Sb  Sb6  1  0.2764  0.8851  0.8379  1
  Sb  Sb7  1  0.6966  0.3132  0.5381  1
  H  H8  1  0.2669  0.4089  0.2419  1
  H  H9  1  0.7981  0.9491  0.2421  1
]