data_BMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   141.21
_cell_angle_beta   116.28
_cell_angle_gamma   77.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMoAs2
_chemical_formula_sum   'B1 Mo1 As2'
_cell_volume   59.06
_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  B2  1  0.0  0.0  0.77  1.0
  Mo  Mo3  1  0.58  0.0  0.25  1.0
  As  As0  1  0.0  0.0  0.01  1.0
  As  As1  1  0.0  0.51  0.41  1.0

data_BMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   63.72
_cell_angle_beta   70.6
_cell_angle_gamma   70.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMoAs2
_chemical_formula_sum   'B1 Mo1 As2'
_cell_volume   59.06
_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  0.77  0.0  0.23  1.0
  Mo  Mo1  1  0.67  0.58  0.75  1.0
  As  As2  1  0.01  -0.0  0.99  1.0
  As  As3  1  0.41  -0.0  0.1  1.0

B Mo As As