data_BaCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   6.67
_cell_angle_alpha   108.24
_cell_angle_beta   108.24
_cell_angle_gamma   61.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoAs2
_chemical_formula_sum   'Ba1 Co1 As2'
_cell_volume   87.36
_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  Ba2  1  0.21  0.0  0.11  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.88  0.0  0.37  1.0
  As  As1  1  0.54  0.0  0.84  1.0

data_BaCoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   6.62
_cell_angle_alpha   91.68
_cell_angle_beta   106.77
_cell_angle_gamma   118.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoAs2
_chemical_formula_sum   'Ba1 Co1 As2'
_cell_volume   87.36
_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  0.11  0.0  0.89  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.51  0.0  0.63  1.0
  As  As3  1  0.7  0.0  0.16  1.0

Ba Co As As