data_ScCoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   135.65
_cell_angle_beta   132.71
_cell_angle_gamma   66.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoP
_chemical_formula_sum   'Sc1 Co1 P1'
_cell_volume   45.11
_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
  Sc  Sc2  1  0.0  0.0  0.5  1.0
  Co  Co0  1  0.0  0.0  0.36  1.0
  P  P1  1  0.0  0.0  0.06  1.0

data_ScCoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.58
_cell_length_c   4.47
_cell_angle_alpha   113.64
_cell_angle_beta   112.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoP
_chemical_formula_sum   'Sc1 Co1 P1'
_cell_volume   45.11
_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
  Sc  Sc0  1  0.5  0.5  0.5  1.0
  Co  Co1  1  0.64  0.64  0.64  1.0
  P  P2  1  0.94  0.94  0.94  1.0

Sc Co P
Sc Co P 0 1 o o o 1 2 o o o 