data_[Mn1Nb1Co1H1Se1]
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 [Pmm2]
_cell_length_a [2.8544]
_cell_length_b [4.0296]
_cell_length_c [5.2733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MnNbCoHSe]
_chemical_formula_sum '[Mn1 Nb1 Co1 H1 Se1]'
_cell_volume [60.6550]
_cell_formula_units_Z [1]
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  0.5000  0.0000  0.6730  1
  Nb  Nb1  1  0.0000  0.5000  0.4236  1
  Co  Co2  1  0.5000  0.5000  0.9568  1
  H  H3  1  0.0000  0.0000  0.4928  1
  Se  Se4  1  0.0000  0.0000  0.0289  1
]