data_[Be2Mo4P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7169]
_cell_length_b [2.9308]
_cell_length_c [4.2281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeMo2P]
_chemical_formula_sum '[Be2 Mo4 P2]'
_cell_volume [104.4142]
_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  0.2332  0.0000  0.7763  1
  Mo  Mo1  2  0.2684  0.5000  0.3013  1
  Mo  Mo2  2  0.4823  0.5000  0.9421  1
  P  P3  2  0.0161  0.5000  0.4803  1
]