data_BeGaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   143.6
_cell_angle_beta   143.6
_cell_angle_gamma   52.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaCo
_chemical_formula_sum   'Be1 Ga1 Co1'
_cell_volume   32.65
_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
  Be  Be0  1  0.0  0.0  0.96  1.0
  Ga  Ga2  1  0.0  0.0  0.44  1.0
  Co  Co1  1  0.0  0.0  0.87  1.0

data_BeGaCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   116.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGaCo
_chemical_formula_sum   'Be2 Ga2 Co2'
_cell_volume   65.3
_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
  Be  Be0  2  0.46  0.5  0.96  1.0
  Ga  Ga1  2  0.44  0.0  0.44  1.0
  Co  Co2  2  0.37  0.5  0.87  1.0

Be Ga Co