data_[Be4Mo2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0001]
_cell_length_b [2.6469]
_cell_length_c [4.3973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2MoAs]
_chemical_formula_sum '[Be4 Mo2 As2]'
_cell_volume [104.4557]
_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
[
  Be  Be0  2  0.2383  0.0000  0.7546  1
  Be  Be1  2  0.4841  0.5000  0.9749  1
  Mo  Mo2  2  0.0111  0.5000  0.5002  1
  As  As3  2  0.2665  0.5000  0.2703  1
]