data_LaCoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   144.88
_cell_angle_beta   144.88
_cell_angle_gamma   50.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoBr
_chemical_formula_sum   'La1 Co1 Br1'
_cell_volume   70.92
_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
  La  La2  1  0.0  0.0  0.47  1.0
  Co  Co1  1  0.0  0.0  0.51  1.0
  Br  Br0  1  0.0  0.0  0.71  1.0

data_LaCoBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   115.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCoBr
_chemical_formula_sum   'La2 Co2 Br2'
_cell_volume   141.85
_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
  La  La0  2  0.47  0.0  0.47  1.0
  Co  Co1  2  0.01  0.5  0.51  1.0
  Br  Br2  2  0.21  0.5  0.71  1.0

La Co Br