data_[Mn2Nb2Co2H2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.0079]
_cell_length_b [2.9971]
_cell_length_c [14.9481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MnNbCoHSe]
_chemical_formula_sum '[Mn2 Nb2 Co2 H2 Se2]'
_cell_volume [134.7546]
_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  2  0.0000  0.0000  0.9351  1
  Nb  Nb1  2  0.5000  0.0000  0.3138  1
  Co  Co2  2  0.5000  0.0000  0.5224  1
  H  H3  2  0.0000  0.0000  0.8060  1
  Se  Se4  2  0.5000  0.0000  0.1406  1
]