data_[Mn4P3O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.0100]
_cell_length_b [3.3505]
_cell_length_c [6.3661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn4P3O]
_chemical_formula_sum '[Mn4 P3 O1]'
_cell_volume [127.8096]
_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
[
  Mn  Mn0  1  0.0268  0.5000  0.2115  1
  Mn  Mn1  1  0.5037  0.0000  0.7482  1
  Mn  Mn2  1  0.5383  0.5000  0.3063  1
  Mn  Mn3  1  0.9651  0.0000  0.7101  1
  P  P4  1  0.2465  0.0000  0.4193  1
  P  P5  1  0.2483  0.5000  0.9014  1
  P  P6  1  0.7465  0.0000  0.0906  1
  O  O7  1  0.7247  0.5000  0.6126  1
]