data_[Mn3Cr1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2554]
_cell_length_b [3.1268]
_cell_length_c [5.9092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn3CrP4]
_chemical_formula_sum '[Mn3 Cr1 P4]'
_cell_volume [97.1041]
_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  0.0050  0.0000  0.8029  1.0
  Mn  Mn1  1  0.5049  0.0000  0.6969  1.0
  Mn  Mn2  1  0.9953  0.5000  0.1955  1.0
  Cr  Cr3  1  0.4942  0.5000  0.3044  1.0
  P  P4  1  0.1870  0.0000  0.4335  1.0
  P  P5  1  0.3117  0.5000  0.9314  1.0
  P  P6  1  0.6903  0.0000  0.0662  1.0
  P  P7  1  0.8116  0.5000  0.5692  1.0
]