data_ZrBeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   135.62
_cell_angle_beta   135.62
_cell_angle_gamma   64.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeCo2
_chemical_formula_sum   'Zr1 Be1 Co2'
_cell_volume   50.55
_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
  Zr  Zr3  1  0.0  0.78  0.99  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.78  0.0  0.99  1.0
  Co  Co2  1  0.0  0.0  0.99  1.0

data_ZrBeCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   122.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBeCo2
_chemical_formula_sum   'Zr2 Be2 Co4'
_cell_volume   101.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.21  0.0  0.21  1.0
  Be  Be1  2  0.5  0.5  0.0  1.0
  Co  Co2  2  0.49  0.5  0.99  1.0
  Co  Co3  2  0.49  0.5  0.21  1.0

Zr Be Co Co