data_[Sm1Co1Cu1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4203]
_cell_length_b [4.4203]
_cell_length_c [4.2118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [SmCoCuH6]
_chemical_formula_sum '[Sm1 Co1 Cu1 H6]'
_cell_volume [71.2679]
_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
[
  Sm  Sm0  1  0.3333  0.6667  0.5000  1.0
  Co  Co1  1  0.6667  0.3333  0.0000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  H  H3  6  0.3572  0.1786  0.2520  1.0
]