data_[Mn4Be2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6496]
_cell_length_b [2.7653]
_cell_length_c [4.0753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn2BeAs]
_chemical_formula_sum '[Mn4 Be2 As2]'
_cell_volume [93.5824]
_cell_formula_units_Z [2]
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  0.0192  0.0000  0.0729  1
  Mn  Mn1  2  0.2341  0.0000  0.6876  1
  Be  Be2  2  0.2577  0.5000  0.1901  1
  As  As3  2  0.4890  0.0000  0.5494  1
]