data_ScMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   39.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMoP2
_chemical_formula_sum   'Sc1 Mo1 P2'
_cell_volume   61.31
_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  Sc3  1  0.0  0.0  0.58  1.0
  Mo  Mo0  1  0.1  0.0  0.2  1.0
  P  P1  1  0.1  0.0  0.64  1.0
  P  P2  1  0.0  0.0  0.06  1.0

data_ScMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.21
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMoP2
_chemical_formula_sum   'Sc1 Mo1 P2'
_cell_volume   61.31
_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  0.42  0.0  0.42  1.0
  Mo  Mo1  1  0.8  0.1  0.8  1.0
  P  P2  1  0.36  0.1  0.36  1.0
  P  P3  1  0.94  0.0  0.94  1.0

Sc Mo P P