data_Ta2CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   39.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoP
_chemical_formula_sum   'Ta2 Co1 P1'
_cell_volume   58.03
_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
  Ta  Ta2  1  0.77  0.0  0.3  1.0
  Ta  Ta3  1  0.0  0.0  0.88  1.0
  Co  Co0  1  0.77  0.0  0.92  1.0
  P  P1  1  0.0  0.0  0.24  1.0

data_Ta2CoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.53
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   109.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoP
_chemical_formula_sum   'Ta2 Co1 P1'
_cell_volume   58.03
_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
  Ta  Ta0  1  0.12  0.0  0.12  1.0
  Ta  Ta1  1  0.7  0.77  0.7  1.0
  Co  Co2  1  0.08  0.77  0.08  1.0
  P  P3  1  0.76  0.0  0.76  1.0

Ta Ta Co P
Ta Ta Co P 0 3 + o o 1 2 - o o 