data_[Sb1Mo1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5751]
_cell_length_b [4.4848]
_cell_length_c [4.7267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SbMoP2]
_chemical_formula_sum '[Sb1 Mo1 P2]'
_cell_volume [71.8324]
_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
[
  Sb  Sb0  1  0.4723  0.0000  0.5619  1
  Mo  Mo1  1  0.1123  0.5000  0.7697  1
  P  P2  1  0.1291  0.0000  0.0016  1
  P  P3  1  0.7863  0.5000  0.1668  1
]