data_Ba2CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   142.77
_cell_angle_beta   133.15
_cell_angle_gamma   61.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoP
_chemical_formula_sum   'Ba2 Co1 P1'
_cell_volume   115.79
_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  0.55  0.25  1.0
  Ba  Ba1  1  0.0  0.0  0.93  1.0
  Co  Co2  1  0.0  0.55  0.1  1.0
  P  P3  1  0.0  0.0  0.3  1.0

data_Ba2CoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   5.11
_cell_length_c   6.42
_cell_angle_alpha   113.42
_cell_angle_beta   108.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoP
_chemical_formula_sum   'Ba2 Co1 P1'
_cell_volume   115.79
_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  0.93  0.93  1.0
  Ba  Ba1  1  0.45  0.69  0.69  1.0
  Co  Co2  1  0.45  0.55  0.55  1.0
  P  P3  1  0.0  0.3  0.3  1.0

Ba Ba Co P