data_CaBe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBe2Co
_chemical_formula_sum   'Ca1 Be2 Co1'
_cell_volume   54.11
_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
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.29  0.83  0.43  1.0
  Be  Be1  1  0.29  0.17  0.43  1.0
  Co  Co3  1  0.59  0.0  0.0  1.0

data_CaBe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   109.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBe2Co
_chemical_formula_sum   'Ca1 Be2 Co1'
_cell_volume   54.11
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.43  0.29  0.83  1.0
  Be  Be2  1  0.43  0.29  0.17  1.0
  Co  Co3  1  0.0  0.59  0.0  1.0

Ca Be Be Co