data_HfBeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   3.01
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   91.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeCo2
_chemical_formula_sum   'Hf1 Be1 Co2'
_cell_volume   49.18
_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
  Hf  Hf3  1  0.91  0.0  0.76  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.43  0.5  0.19  1.0
  Co  Co2  1  0.35  0.5  0.33  1.0

data_HfBeCo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   3.01
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   91.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfBeCo2
_chemical_formula_sum   'Hf1 Be1 Co2'
_cell_volume   49.18
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Hf  Hf0  1  0.91  0.0  0.76  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.35  0.5  0.33  1.0
  Co  Co3  1  0.43  0.5  0.19  1.0

Hf Be Co Co