data_Sc2CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   40.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CoP
_chemical_formula_sum   'Sc2 Co1 P1'
_cell_volume   66.52
_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  0.91  0.0  0.72  1.0
  Sc  Sc3  1  0.0  0.0  0.96  1.0
  Co  Co0  1  0.91  0.0  0.75  1.0
  P  P1  1  0.0  0.0  0.15  1.0

data_Sc2CoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.81
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   110.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CoP
_chemical_formula_sum   'Sc2 Co1 P1'
_cell_volume   66.52
_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  0.04  0.0  0.04  1.0
  Sc  Sc1  1  0.28  0.91  0.28  1.0
  Co  Co2  1  0.25  0.91  0.25  1.0
  P  P3  1  0.85  0.0  0.85  1.0

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