data_BeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   7.27
_cell_angle_alpha   152.66
_cell_angle_beta   152.66
_cell_angle_gamma   39.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo3
_chemical_formula_sum   'Be2 Co6'
_cell_volume   81.08
_cell_formula_units_Z   2
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
  Be  Be0  1  0.0  0.0  0.55  1.0
  Be  Be1  1  0.0  0.0  0.17  1.0
  Co  Co2  1  0.0  0.72  0.0  1.0
  Co  Co3  1  0.72  0.0  0.0  1.0
  Co  Co4  1  0.72  0.0  0.43  1.0
  Co  Co5  1  0.0  0.72  0.43  1.0
  Co  Co6  1  0.0  0.0  0.99  1.0
  Co  Co7  1  0.0  0.0  0.72  1.0

data_BeCo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   109.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCo3
_chemical_formula_sum   'Be4 Co12'
_cell_volume   162.16
_cell_formula_units_Z   4
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
  Be  Be0  2  0.0  0.0  0.45  1.0
  Be  Be1  2  0.0  0.0  0.83  1.0
  Co  Co2  4  0.36  0.36  0.29  1.0
  Co  Co3  4  0.36  0.36  0.72  1.0
  Co  Co4  2  0.0  0.0  0.01  1.0
  Co  Co5  2  0.0  0.0  0.28  1.0

Be Be Co Co Co Co Co Co