data_[Mn6Cr2H2]
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 [P2_1/m]
_cell_length_a [4.1269]
_cell_length_b [5.2484]
_cell_length_c [4.3236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mn3CrH]
_chemical_formula_sum '[Mn6 Cr2 H2]'
_cell_volume [92.5323]
_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  4  0.2228  0.0004  0.7948  1
  Mn  Mn1  2  0.2680  0.2500  0.3121  1
  Cr  Cr2  2  0.2758  0.7500  0.3199  1
  H  H3  2  0.4989  0.2500  0.0023  1
]