data_[Mn3Al2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3971]
_cell_length_b [5.0888]
_cell_length_c [19.9046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [100.2945]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn3(AlAs2)2]
_chemical_formula_sum '[Mn3 Al2 As4]'
_cell_volume [438.2157]
_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  2  0.2642  0.5538  0.0369  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  Al  Al2  2  0.4788  0.8881  0.9387  1
  As  As3  2  0.0445  0.1951  0.1231  1
  As  As4  2  0.2205  0.3578  0.9172  1
]