data_[Mn1Si4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9309]
_cell_length_b [5.6009]
_cell_length_c [6.1386]
_cell_angle_alpha [85.6970]
_cell_angle_beta [68.3704]
_cell_angle_gamma [70.6527]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn(SiP)4]
_chemical_formula_sum '[Mn1 Si4 P4]'
_cell_volume [148.4807]
_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  0.0005  0.0059  0.0023  1.0
  Si  Si1  1  0.2387  0.3388  0.4316  1.0
  Si  Si2  1  0.3478  0.5979  0.8836  1.0
  Si  Si3  1  0.6787  0.7757  0.2189  1.0
  Si  Si4  1  0.8453  0.9695  0.6953  1.0
  P  P5  1  0.1567  0.0102  0.3115  1.0
  P  P6  1  0.3324  0.2194  0.7662  1.0
  P  P7  1  0.6299  0.4018  0.1180  1.0
  P  P8  1  0.7632  0.6390  0.5635  1.0
]