data_B2MoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   36.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoAs
_chemical_formula_sum   'B2 Mo1 As1'
_cell_volume   46.58
_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
  B  B1  1  0.56  0.0  0.29  1.0
  B  B2  1  0.0  0.0  0.56  1.0
  Mo  Mo3  1  0.56  0.0  0.86  1.0
  As  As0  1  0.0  0.0  0.15  1.0

data_B2MoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.16
_cell_length_c   4.98
_cell_angle_alpha   108.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoAs
_chemical_formula_sum   'B2 Mo1 As1'
_cell_volume   46.58
_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
  B  B0  1  0.0  0.56  0.56  1.0
  B  B1  1  0.44  0.29  0.29  1.0
  Mo  Mo2  1  0.44  0.86  0.86  1.0
  As  As3  1  0.0  0.15  0.15  1.0

B B Mo As