data_[Mn8Cr2H10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.8596]
_cell_length_b [5.8596]
_cell_length_c [3.7096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Mn4CrH5]
_chemical_formula_sum '[Mn8 Cr2 H10]'
_cell_volume [127.3668]
_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  8  0.1008  0.3009  0.5000  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  H  H2  8  0.1024  0.3041  0.0000  1
  H  H3  2  0.0000  0.0000  0.5000  1
]