data_ScMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.53
_cell_angle_alpha   103.72
_cell_angle_beta   103.72
_cell_angle_gamma   38.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMo2P
_chemical_formula_sum   'Sc1 Mo2 P1'
_cell_volume   65.14
_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  0.07  0.0  0.19  1.0
  Mo  Mo0  1  0.53  0.0  0.9  1.0
  Mo  Mo1  1  0.6  0.0  0.48  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ScMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.53
_cell_length_c   4.9
_cell_angle_alpha   103.72
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMo2P
_chemical_formula_sum   'Sc1 Mo2 P1'
_cell_volume   65.14
_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  0.0  0.19  0.07  1.0
  Mo  Mo1  1  0.0  0.48  0.6  1.0
  Mo  Mo2  1  0.0  0.9  0.53  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Sc Mo Mo P