data_[Mn3Co1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1560]
_cell_length_b [3.1182]
_cell_length_c [5.8388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn3CoP4]
_chemical_formula_sum '[Mn3 Co1 P4]'
_cell_volume [93.8717]
_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  0.0036  0.0000  0.1942  1.0
  Mn  Mn1  1  0.4981  0.5000  0.7072  1.0
  Mn  Mn2  1  0.9993  0.5000  0.7970  1.0
  Co  Co3  1  0.5024  0.0000  0.3019  1.0
  P  P4  1  0.1851  0.0000  0.5626  1.0
  P  P5  1  0.3136  0.5000  0.0741  1.0
  P  P6  1  0.6884  0.0000  0.9341  1.0
  P  P7  1  0.8095  0.5000  0.4290  1.0
]