data_[Sm1Ho3Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3982]
_cell_length_b [4.1572]
_cell_length_c [7.1205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SmHo3Ni4]
_chemical_formula_sum '[Sm1 Ho3 Ni4]'
_cell_volume [159.7843]
_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  0.3719  0.0000  0.3226  1.0
  Ho  Ho1  1  0.1294  0.0000  0.8211  1.0
  Ho  Ho2  1  0.6316  0.5000  0.6827  1.0
  Ho  Ho3  1  0.8697  0.5000  0.1763  1.0
  Ni  Ni4  1  0.1189  0.5000  0.5410  1.0
  Ni  Ni5  1  0.3757  0.5000  0.0306  1.0
  Ni  Ni6  1  0.6282  0.0000  0.9593  1.0
  Ni  Ni7  1  0.8746  0.0000  0.4664  1.0
]