data_[Fe1Mo2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7482]
_cell_length_b [3.8190]
_cell_length_c [5.2554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [FeMo2P]
_chemical_formula_sum '[Fe1 Mo2 P1]'
_cell_volume [54.0082]
_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
[
  Fe  Fe0  1  0.5000  0.5000  0.5000  1
  Mo  Mo1  2  0.0479  0.0000  0.7512  1
  P  P2  1  0.5000  0.5000  0.0000  1
]