data_[Mn3P4]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [17.8231]
_cell_length_b [3.0043]
_cell_length_c [17.8231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn3P4]
_chemical_formula_sum '[Mn3 P4]'
_cell_volume [826.5105]
_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  0.4613  0.5000  0.3676  1
  Mn  Mn1  1  0.4957  0.0000  0.5180  1
  Mn  Mn2  1  0.5943  0.0000  0.4114  1
  P  P3  1  0.3857  0.5000  0.4344  1
  P  P4  1  0.4372  0.0000  0.6093  1
  P  P5  1  0.5379  0.5000  0.6520  1
  P  P6  1  0.5879  0.5000  0.5074  1
]