data_Ba2CoTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   32.13
_cell_angle_beta   32.13
_cell_angle_gamma   32.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoTe
_chemical_formula_sum   'Ba2 Co1 Te1'
_cell_volume   161.3
_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
  Ba  Ba0  1  0.0  0.0  0.32  1.0
  Ba  Ba1  1  0.0  0.0  0.2  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.26  1.0

data_Ba2CoTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.27
_cell_length_b   4.77
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2CoTe
_chemical_formula_sum   'Ba4 Co2 Te2'
_cell_volume   322.6
_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
  Ba  Ba0  2  0.0  0.0  0.68  1.0
  Ba  Ba1  2  0.0  0.0  0.8  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Te  Te3  2  0.0  0.0  0.74  1.0

Ba Ba Co Te
Ba Ba Co Te 0 3 o o o 1 3 o o o 1 2 o o o 