data_YCoBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.85
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   104.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoBr2
_chemical_formula_sum   'Y1 Co1 Br2'
_cell_volume   99.19
_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
  Y  Y3  1  0.78  0.93  0.68  1.0
  Co  Co2  1  0.62  0.0  0.93  1.0
  Br  Br0  1  0.78  0.0  0.3  1.0
  Br  Br1  1  0.64  0.93  0.4  1.0

data_YCoBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.85
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   104.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoBr2
_chemical_formula_sum   'Y1 Co1 Br2'
_cell_volume   99.19
_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
  Y  Y0  1  0.78  0.93  0.68  1.0
  Co  Co1  1  0.62  0.0  0.93  1.0
  Br  Br2  1  0.64  0.93  0.4  1.0
  Br  Br3  1  0.78  0.0  0.3  1.0

Y Co Br Br
Y Co Br Br 0 3 o o o 0 1 o + o 2 3 o - o 