data_Co3ReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   3.03
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   91.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3ReB4
_chemical_formula_sum   'Co3 Re1 B4'
_cell_volume   67.72
_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
  Co  Co0  1  0.57  0.52  0.94  1.0
  Co  Co1  1  0.49  0.0  0.73  1.0
  Co  Co2  1  0.41  0.0  0.47  1.0
  Re  Re3  1  0.51  0.52  0.68  1.0
  B  B4  1  0.46  0.52  0.82  1.0
  B  B5  1  0.51  0.52  0.24  1.0
  B  B6  1  0.65  0.0  0.44  1.0
  B  B7  1  0.37  0.0  0.34  1.0

data_Co3ReB4
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.13
_cell_length_b   3.03
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   91.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Co3ReB4
_chemical_formula_sum   'Co3 Re1 B4'
_cell_volume   67.72
_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
  Co  Co0  1  0.41  0.0  0.47  1.0
  Co  Co1  1  0.49  0.0  0.73  1.0
  Co  Co2  1  0.57  0.5  0.94  1.0
  Re  Re3  1  0.51  0.5  0.68  1.0
  B  B4  1  0.37  0.0  0.34  1.0
  B  B5  1  0.46  0.5  0.82  1.0
  B  B6  1  0.51  0.5  0.24  1.0
  B  B7  1  0.65  0.0  0.44  1.0

Co Co Co Re B B B B