data_BeCo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   144.99
_cell_angle_beta   132.47
_cell_angle_gamma   60.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Br
_chemical_formula_sum   'Be1 Co2 Br1'
_cell_volume   49.51
_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  0.37  1.0
  Co  Co2  1  0.0  0.0  0.05  1.0
  Co  Co3  1  0.0  0.98  0.01  1.0
  Br  Br1  1  0.48  0.0  0.05  1.0

data_BeCo2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.95
_cell_length_c   4.91
_cell_angle_alpha   113.76
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Br
_chemical_formula_sum   'Be1 Co2 Br1'
_cell_volume   49.51
_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  0.37  0.37  1.0
  Co  Co1  1  0.0  0.05  0.05  1.0
  Co  Co2  1  0.02  0.03  0.03  1.0
  Br  Br3  1  0.0  0.05  0.58  1.0

Be Co Co Br